methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate

C8H15NO3 — CID 130640113

IUPACmethyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate
SMILESCOC(=O)N[C@@H]1CCC[C@@H]1CO
InChIInChI=1S/C8H15NO3/c1-12-8(11)9-7-4-2-3-6(7)5-10/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-,7-/m1/s1
InChIKeyJESSSURQWMOAFM-RNFRBKRXSA-N
MW173.21 g/mol
LogP0.50
Rot. Bonds2

About methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate

methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate (PubChem CID 130640113) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate
PubChem CID130640113
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate
SMILESCOC(=O)N[C@@H]1CCC[C@@H]1CO
InChIInChI=1S/C8H15NO3/c1-12-8(11)9-7-4-2-3-6(7)5-10/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-,7-/m1/s1
InChIKeyJESSSURQWMOAFM-RNFRBKRXSA-N
XLogP0.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]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

2-methylpropyl N-[2-(hydroxymethyl)cyclopentyl]carbamate
CID 106364581
[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 131092066
N-[2-(hydroxymethyl)cyclopentyl]-2,2-dimethylpropanamide
CID 103751419
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
ethane;methyl N-(2-methylcyclopentyl)carbamate
CID 145397332
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide
CID 106367884
methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate
CID 106360580
[(1S)-2-(methylamino)cyclopentyl]methanol
CID 123545278

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate?
The IUPAC name of methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate (CID 130640113) is methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate.
What is the SMILES notation for methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate?
The canonical SMILES for methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate is COC(=O)N[C@@H]1CCC[C@@H]1CO.
What is the InChIKey of methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate?
The InChIKey is JESSSURQWMOAFM-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15NO3/c1-12-8(11)9-7-4-2-3-6(7)5-10/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-,7-/m1/s1.
What are the key properties of methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate?
methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate has a molecular weight of 173.21 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate is sourced from PubChem (CID 130640113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).