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methyl N-(1-hydroxypropan-2-yl)carbamate

HCID 20350331
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Basic information

Standard SMILES
COC(=O)NC(C)CO
InChIKey
RXFVDPLFYFUMOV-UHFFFAOYSA-N
Molecular formula
C5H11NO3
Average molar mass
133.15 g/mol

Names & identifiers

Preferred name
methyl N-(1-hydroxypropan-2-yl)carbamate
IUPAC
methyl N-(1-hydroxypropan-2-yl)carbamate

Names & synonyms

SCHEMBL8214191SCHEMBL10519451SCHEMBL11446108

Database identifiers

PubChem CID
20350331

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
58.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
9
Formal charge
0
Complexity
94.2

Related reactions

2 records
New reaction record
HRID 98628 reaction equation
HRID 98628As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1200373 reaction equation
HRID 1200373As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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