(2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid

C14H19NO2 — CID 68534657

IUPAC(2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(C2CCCC2)cc1)C(=O)O
InChIInChI=1S/C14H19NO2/c15-13(14(16)17)9-10-5-7-12(8-6-10)11-3-1-2-4-11/h5-8,11,13H,1-4,9,15H2,(H,16,17)/t13-/m0/s1
InChIKeyFIPGPGKHUZUJHW-ZDUSSCGKSA-N
MW233.31 g/mol
LogP2.30
Rot. Bonds4

About (2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid

(2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid (PubChem CID 68534657) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid
PubChem CID68534657
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(C2CCCC2)cc1)C(=O)O
InChIInChI=1S/C14H19NO2/c15-13(14(16)17)9-10-5-7-12(8-6-10)11-3-1-2-4-11/h5-8,11,13H,1-4,9,15H2,(H,16,17)/t13-/m0/s1
InChIKeyFIPGPGKHUZUJHW-ZDUSSCGKSA-N
XLogP2.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[4-(1-methylazepan-4-yl)phenyl]propanoic acid
CID 117442921
(2S)-2-amino-3-(3-cyclopentylphenyl)propanoic acid;hydrochloride
CID 20637685
2-amino-3-[4-(1,3-dioxan-2-yl)phenyl]propanoic acid
CID 24753909
2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 175252899
4-(4-cyclohexylphenyl)-3-methylbutanoic acid
CID 116926748
3-(4-cyclopropylphenyl)-2-fluoropropanoic acid
CID 81358375
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
2-amino-3-(4-cyclopropylsulfanylphenyl)propanoic acid
CID 117347501
5-(4-cyclopentylphenyl)-4-methylpentanoic acid
CID 70538154

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid (CID 68534657) is (2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid is N[C@@H](Cc1ccc(C2CCCC2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid?
The InChIKey is FIPGPGKHUZUJHW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO2/c15-13(14(16)17)9-10-5-7-12(8-6-10)11-3-1-2-4-11/h5-8,11,13H,1-4,9,15H2,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid?
(2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.30, 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-(4-cyclopentylphenyl)propanoic acid is sourced from PubChem (CID 68534657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).