Rac-(1s,3s)-3-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid

cis-3-Cbz-aminocyclobutanecarboxylic acid · cis-3-Aminocyclobutanecarboxylic acid, N-CBZ protected

Identifiers & Physical Properties

CAS No.	1212380-76-1
Molecular formula	C13H15NO4
Average molar mass	249.26 g/mol
Monoisotopic mass	249.10010796 g/mol
SMILES	O=C(NC1CC(C(=O)O)C1)OCc1ccccc1
InChIKey	OBTCPLYMKZBZTO-PHIMTYICSA-N
PubChem CID	40468300
EC No.	858-717-7

XLogP	1.5
Topological polar surface area	75.6
Hydrogen bond donors	2
Hydrogen bond acceptors	4
Rotatable bonds	5
Heavy atoms	18
Formal charge	0
Complexity	306
Boiling point	464.9±44.0 °C(Predicted)
Density	1.29±0.1 g/cm3(Predicted)
Storage conditions	Store at Room Tem.
pKa (acidity coefficient)	4.58±0.40(Predicted)
GHS pictogram	GHS07
Signal word	warning
GHS hazard statements	H302-H315-H319-H335
GHS precautionary statements	P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Hazard symbols	Xi

GHS classification	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Signal word	warning
GHS pictogram	GHS07
Hazard symbols	Xi
GHS hazard statements	H302-H315-H319-H335
GHS precautionary statements	P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405

HuagongsheHuagongshe Chemistry Print Report · For research reference only

HCID 40468300Generated: November 3, 2026

cis-3-Cbz-aminocyclobutanecarboxylic acid · cis-3-Aminocyclobutanecarboxylic acid, N-CBZ protected

CAS No.	1212380-76-1
Molecular formula	C13H15NO4
Average molar mass	249.26 g/mol
Monoisotopic mass	249.10010796 g/mol
SMILES	O=C(NC1CC(C(=O)O)C1)OCc1ccccc1
InChIKey	OBTCPLYMKZBZTO-PHIMTYICSA-N
PubChem CID	40468300
EC No.	858-717-7

XLogP	1.5
Topological polar surface area	75.6
Hydrogen bond donors	2
Hydrogen bond acceptors	4
Rotatable bonds	5
Heavy atoms	18
Formal charge	0
Complexity	306
Boiling point	464.9±44.0 °C(Predicted)
Density	1.29±0.1 g/cm3(Predicted)
Storage conditions	Store at Room Tem.
pKa (acidity coefficient)	4.58±0.40(Predicted)
GHS pictogram	GHS07
Signal word	warning
GHS hazard statements	H302-H315-H319-H335
GHS precautionary statements	P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Hazard symbols	Xi

GHS classification	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Signal word	warning
GHS pictogram	GHS07
Hazard symbols	Xi
GHS hazard statements	H302-H315-H319-H335
GHS precautionary statements	P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405