4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol

C12H17NO2 — CID 131343814

IUPAC4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol
SMILESN[C@@H](c1ccc(O)c(O)c1)C1CCCC1
InChIInChI=1S/C12H17NO2/c13-12(8-3-1-2-4-8)9-5-6-10(14)11(15)7-9/h5-8,12,14-15H,1-4,13H2/t12-/m1/s1
InChIKeyGEZZLSPFRSFQPG-GFCCVEGCSA-N
MW207.27 g/mol
LogP2.29
Rot. Bonds2

About 4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol

4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol (PubChem CID 131343814) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol
PubChem CID131343814
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol
SMILESN[C@@H](c1ccc(O)c(O)c1)C1CCCC1
InChIInChI=1S/C12H17NO2/c13-12(8-3-1-2-4-8)9-5-6-10(14)11(15)7-9/h5-8,12,14-15H,1-4,13H2/t12-/m1/s1
InChIKeyGEZZLSPFRSFQPG-GFCCVEGCSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride
CID 171198097
4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride
CID 171213118
2-amino-5-[amino(cyclobutyl)methyl]phenol
CID 130061977
4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol
CID 171160646
5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol
CID 171218830
5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride
CID 171211702
4-[(R)-amino(cyclopropyl)methyl]-2-fluorophenol
CID 55254203
3-[amino(cyclohexyl)methyl]phenol
CID 105457850
4-[(S)-amino(cyclobutyl)methyl]phenol
CID 130741168
4-[(R)-amino(cyclobutyl)methyl]phenol
CID 130780811
5-[(R)-amino(cyclopropyl)methyl]-2-methoxyphenol
CID 55254634
[4-[(R)-amino(cyclobutyl)methyl]-2-hydroxyphenyl] acetate;hydrochloride
CID 171214108

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol?
The IUPAC name of 4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol (CID 131343814) is 4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol is N[C@@H](c1ccc(O)c(O)c1)C1CCCC1.
What is the InChIKey of 4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol?
The InChIKey is GEZZLSPFRSFQPG-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO2/c13-12(8-3-1-2-4-8)9-5-6-10(14)11(15)7-9/h5-8,12,14-15H,1-4,13H2/t12-/m1/s1.
What are the key properties of 4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol?
4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol has a molecular weight of 207.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol is sourced from PubChem (CID 131343814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).