4-Morpholineacetic acid

HCID 438968CAS 3235-69-6

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)CN1CCOCC1
InChIKey: VIWZVFVJPXTXPA-UHFFFAOYSA-N
Molecular formula: C6H11NO3
Average molar mass: 145.16 g/mol
Monoisotopic mass: 145.07389321

Overview

N-(2-Carboxymethyl)-morpholine is an alpha-amino acid.

Names & identifiers

Preferred name: 4-Morpholineacetic acid
IUPAC: 2-morpholin-4-ylacetic acid

Names & synonyms

3235-69-64-Morpholineacetic AcidRefChem:525753695-164-9Morpholin-4-yl-acetic acid2-morpholinoacetic acidmorpholin-4-ylacetic acid2-(4-Morpholinyl)acetic acid2-morpholin-4-ylacetic acid2-(morpholin-4-yl)acetic acid4-Morpholinoacetic acid4-Morpholine acetic acid

Show more names

MFCD00504633Morpholin-4-yl acetic acidMorpholinoacetic acidN-(Carboxymethyl)morpholineN-(2-Carboxymethyl)-morpholineSTK397092AC-2877NCGC00342195-01

Database identifiers

CAS: 3235-69-6
PubChem CID: 438968
DTXSID: DTXSID30331394
ChEMBL: CHEMBL4650660
ChEBI: CHEBI:173605
UNII: F4MB63E4JQ
EC Number: 695-164-9
Nikkaji: J637.343G

Properties

Computed structural properties

XLogP: -2.8
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 120

Experimental & physicochemical properties

DrugsPharmaceuticals -> Metabolite of Mycophenolate mofetil

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.