2-(benzylamino)cyclopentane-1,3-diol

C12H17NO2 — CID 57123230

IUPAC2-(benzylamino)cyclopentane-1,3-diol
SMILESOC1CCC(O)C1NCc1ccccc1
InChIInChI=1S/C12H17NO2/c14-10-6-7-11(15)12(10)13-8-9-4-2-1-3-5-9/h1-5,10-15H,6-8H2
InChIKeyVPZSNTHXHSTSDV-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.66
Rot. Bonds3

About 2-(benzylamino)cyclopentane-1,3-diol

2-(benzylamino)cyclopentane-1,3-diol (PubChem CID 57123230) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(benzylamino)cyclopentane-1,3-diol.

Molecular Properties

Compound Name2-(benzylamino)cyclopentane-1,3-diol
PubChem CID57123230
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(benzylamino)cyclopentane-1,3-diol
SMILESOC1CCC(O)C1NCc1ccccc1
InChIInChI=1S/C12H17NO2/c14-10-6-7-11(15)12(10)13-8-9-4-2-1-3-5-9/h1-5,10-15H,6-8H2
InChIKeyVPZSNTHXHSTSDV-UHFFFAOYSA-N
XLogP0.66
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(benzylamino)cyclopentane-1,3-diol 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

(1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol
CID 163753125
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol
CID 78150855
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
benzene;N-benzylcyclohexanamine
CID 142622843
2-(benzylamino)cyclohex-3-en-1-ol
CID 130023976
(1S,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol
CID 7155133
(1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol
CID 7155137
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
4-(benzylamino)-5-diazenylcyclooctan-1-ol
CID 139374593
(3R,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 11565251
N-benzyl-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine
CID 130382138

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)cyclopentane-1,3-diol?
The IUPAC name of 2-(benzylamino)cyclopentane-1,3-diol (CID 57123230) is 2-(benzylamino)cyclopentane-1,3-diol.
What is the SMILES notation for 2-(benzylamino)cyclopentane-1,3-diol?
The canonical SMILES for 2-(benzylamino)cyclopentane-1,3-diol is OC1CCC(O)C1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)cyclopentane-1,3-diol?
The InChIKey is VPZSNTHXHSTSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-10-6-7-11(15)12(10)13-8-9-4-2-1-3-5-9/h1-5,10-15H,6-8H2.
What are the key properties of 2-(benzylamino)cyclopentane-1,3-diol?
2-(benzylamino)cyclopentane-1,3-diol has a molecular weight of 207.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)cyclopentane-1,3-diol is sourced from PubChem (CID 57123230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).