4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride

C13H18ClNO2 — CID 171198147

IUPAC4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride
SMILESCl.N[C@@H](c1ccc(C(=O)O)cc1)C1CCCC1
InChIInChI=1S/C13H17NO2.ClH/c14-12(9-3-1-2-4-9)10-5-7-11(8-6-10)13(15)16;/h5-9,12H,1-4,14H2,(H,15,16);1H/t12-;/m1./s1
InChIKeyOPWFEBSLRXLPGO-UTONKHPSSA-N
MW255.75 g/mol
LogP3.00
Rot. Bonds3

About 4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride

4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride (PubChem CID 171198147) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride.

Molecular Properties

Compound Name4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride
PubChem CID171198147
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride
SMILESCl.N[C@@H](c1ccc(C(=O)O)cc1)C1CCCC1
InChIInChI=1S/C13H17NO2.ClH/c14-12(9-3-1-2-4-9)10-5-7-11(8-6-10)13(15)16;/h5-9,12H,1-4,14H2,(H,15,16);1H/t12-;/m1./s1
InChIKeyOPWFEBSLRXLPGO-UTONKHPSSA-N
XLogP3.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride 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

methyl 4-[(R)-amino(cyclopentyl)methyl]benzoate
CID 171212684
4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]benzoic acid
CID 171266509
methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate
CID 171212686
4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzoic acid;hydrochloride
CID 171266506
3-[amino(cyclobutyl)methyl]benzoic acid
CID 105457514
5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride
CID 171211702
cyclohexyl(phenyl)methanamine
CID 11064121
cyclopentyl-(4-phenylphenyl)methanamine
CID 43098534
4-[cyclohexyl(dimethylamino)methyl]benzoic acid
CID 116908454
4-[(S)-amino(cyclobutyl)methyl]phenol
CID 130741168
4-[(R)-amino(cyclobutyl)methyl]phenol
CID 130780811
(R)-cyclohexyl-(4-iodophenyl)methanamine
CID 171202889

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride?
The IUPAC name of 4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride (CID 171198147) is 4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride.
What is the SMILES notation for 4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride?
The canonical SMILES for 4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride is Cl.N[C@@H](c1ccc(C(=O)O)cc1)C1CCCC1.
What is the InChIKey of 4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride?
The InChIKey is OPWFEBSLRXLPGO-UTONKHPSSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c14-12(9-3-1-2-4-9)10-5-7-11(8-6-10)13(15)16;/h5-9,12H,1-4,14H2,(H,15,16);1H/t12-;/m1./s1.
What are the key properties of 4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride?
4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride is sourced from PubChem (CID 171198147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).