benzyl N-(2-hydroxycyclopropyl)carbamate

C11H13NO3 — CID 69099067

IUPACbenzyl N-(2-hydroxycyclopropyl)carbamate
SMILESO=C(NC1CC1O)OCc1ccccc1
InChIInChI=1S/C11H13NO3/c13-10-6-9(10)12-11(14)15-7-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H,12,14)
InChIKeySBIIQLWBTBQKRD-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.05
Rot. Bonds3

About benzyl N-(2-hydroxycyclopropyl)carbamate

benzyl N-(2-hydroxycyclopropyl)carbamate (PubChem CID 69099067) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is benzyl N-(2-hydroxycyclopropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-hydroxycyclopropyl)carbamate
PubChem CID69099067
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namebenzyl N-(2-hydroxycyclopropyl)carbamate
SMILESO=C(NC1CC1O)OCc1ccccc1
InChIInChI=1S/C11H13NO3/c13-10-6-9(10)12-11(14)15-7-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H,12,14)
InChIKeySBIIQLWBTBQKRD-UHFFFAOYSA-N
XLogP1.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl N-(2-hydroxycyclopropyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate
CID 138980192
methyl (1R,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 102370724
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(2-phenylcyclopropyl)carbamate
CID 12682022
benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride
CID 133063697
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate
CID 58570898
benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate
CID 68556132

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-hydroxycyclopropyl)carbamate?
The IUPAC name of benzyl N-(2-hydroxycyclopropyl)carbamate (CID 69099067) is benzyl N-(2-hydroxycyclopropyl)carbamate.
What is the SMILES notation for benzyl N-(2-hydroxycyclopropyl)carbamate?
The canonical SMILES for benzyl N-(2-hydroxycyclopropyl)carbamate is O=C(NC1CC1O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-hydroxycyclopropyl)carbamate?
The InChIKey is SBIIQLWBTBQKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-10-6-9(10)12-11(14)15-7-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H,12,14).
What are the key properties of benzyl N-(2-hydroxycyclopropyl)carbamate?
benzyl N-(2-hydroxycyclopropyl)carbamate has a molecular weight of 207.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-hydroxycyclopropyl)carbamate is sourced from PubChem (CID 69099067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).