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N-[(1R)-3-(Dimethylamino)-1-(hydroxymethyl)-3-oxopropyl]carbamic acid phenylmethyl ester

HCID 59186705
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)C(=O)C[C@H](CO)NC(=O)OCc1ccccc1
InChIKey
UMQHVEJVBXAPLK-GFCCVEGCSA-N
Molecular formula
C14H20N2O4
Average molar mass
280.32 g/mol
Monoisotopic mass
280.14230712

Names & identifiers

Preferred name
N-[(1R)-3-(Dimethylamino)-1-(hydroxymethyl)-3-oxopropyl]carbamic acid phenylmethyl ester
IUPAC
benzyl N-[(2R)-4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamate

Names & synonyms

870812-29-6N-[(1R)-3-(DIMETHYLAMINO)-1-(HYDROXYMETHYL)-3-OXOPROPYL]CARBAMIC ACID PHENYLMETHYL ESTER(R)-3-(Cbz-amino)-4-hydroxy-N,N-dimethylbutanamidebenzyl N-[(2R)-4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl]carbamateUMQHVEJVBXAPLK-GFCCVEGCSA-NSCHEMBL10058367Carbamic acid, N-[(1R)-3-(dimethylamino)-1-(hydroxymethyl)-3-oxopropyl]-, phenylmethyl esterMFCD16251359SY291238DB-320641F70818(R)-benzyl 4-(dimethyl amino)-1-hydroxy-4-oxobutan-2-ylcarbamate
Show more names
(R)-benzyl 4-(dimethylamino)-1-hydroxy-4-oxobutan-2-ylcarbamatebenzyl (R)-(4-(dimethylamino)-1-hydroxy-4-oxobutan-2-yl)carbamatebenzyl (1R)-3-(dimethylamino)-1-(hydroxymethyl)-3-oxopropylcarbamate

Database identifiers

PubChem CID
59186705

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
78.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
20
Formal charge
0
Complexity
314

Related reactions

5 records
New reaction record
HRID 731539 reaction equation
HRID 731539As productuspto-grants-2009_09
HRID 1476267 reaction equation
HRID 1476267As productuspto-grants-2015_04
HRID 1750721 reaction equation
HRID 1750721As productuspto-grants-2015_10
HRID 1771167 reaction equation
HRID 1771167As productuspto-grants-2016_02
HRID 2196743 reaction equation
HRID 2196743As productuspto-grants-2012_12

Compound notes

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