(2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride

C14H20ClNO2 — CID 20637685

IUPAC(2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride
SMILESCl.N[C@@H](Cc1cccc(C2CCCC2)c1)C(=O)O
InChIInChI=1S/C14H19NO2.ClH/c15-13(14(16)17)9-10-4-3-7-12(8-10)11-5-1-2-6-11;/h3-4,7-8,11,13H,1-2,5-6,9,15H2,(H,16,17);1H/t13-;/m0./s1
InChIKeyBZAURZOZMHTVEU-ZOWNYOTGSA-N
MW269.77 g/mol
LogP2.72
Rot. Bonds4

About (2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride

(2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride (PubChem CID 20637685) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride
PubChem CID20637685
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride
SMILESCl.N[C@@H](Cc1cccc(C2CCCC2)c1)C(=O)O
InChIInChI=1S/C14H19NO2.ClH/c15-13(14(16)17)9-10-4-3-7-12(8-10)11-5-1-2-6-11;/h3-4,7-8,11,13H,1-2,5-6,9,15H2,(H,16,17);1H/t13-;/m0./s1
InChIKeyBZAURZOZMHTVEU-ZOWNYOTGSA-N
XLogP2.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 177277385
(2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid
CID 68534657
3-(3-cyclohexylphenyl)-2-methylpropanoic acid
CID 115006126
2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid
CID 69415447
(2S)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 118989386
3-(3-cyclopentylphenyl)propanoic acid
CID 83836630
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
CID 67059715
4-(3-cyclopentylphenyl)butanoic acid
CID 117336755
1-cyclobutyl-3-(2-methylpropyl)benzene
CID 169137072
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
(2S)-2-amino-3-(3-tert-butylphenyl)propanoic acid;hydrochloride
CID 20706030

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride (CID 20637685) is (2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride is Cl.N[C@@H](Cc1cccc(C2CCCC2)c1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride?
The InChIKey is BZAURZOZMHTVEU-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c15-13(14(16)17)9-10-4-3-7-12(8-10)11-5-1-2-6-11;/h3-4,7-8,11,13H,1-2,5-6,9,15H2,(H,16,17);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride?
(2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 20637685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).