[3-Hydroxy-3-(3-pyridinyl)propyl]carbamic acid 1,1-dimethylethyl ester

HCID 69799429

Basic information

Standard SMILES
CC(C)(C)OC(=O)NCCC(O)c1cccnc1
InChIKey
ZZGSNPVSIBBOKL-UHFFFAOYSA-N
Molecular formula
C13H20N2O3
Average molar mass
252.31 g/mol

Names & identifiers

Preferred name
[3-Hydroxy-3-(3-pyridinyl)propyl]carbamic acid 1,1-dimethylethyl ester
IUPAC
tert-butyl N-(3-hydroxy-3-pyridin-3-ylpropyl)carbamate

Names & synonyms

SCHEMBL6491616ZZGSNPVSIBBOKL-UHFFFAOYSA-N[3-hydroxy-3-(3-pyridinyl)propyl]carbamic acid 1,1-dimethylethyl ester[3-hydroxy-3-(3-pyridinyl)propyl]carbamic acid, 1,1-dimethylethyl ester

Database identifiers

PubChem CID
69799429

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
71.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
18

Related reactions

3 records

Compound notes

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