(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid

C14H19NO2 — CID 66512949

IUPAC(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid
SMILESN[C@H](C(=O)O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H19NO2/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5,15H2,(H,16,17)/t13-/m0/s1
InChIKeyWUKCEKBFZXFCGI-ZDUSSCGKSA-N
MW233.31 g/mol
LogP2.82
Rot. Bonds3

About (2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid

(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid (PubChem CID 66512949) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid
PubChem CID66512949
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid
SMILESN[C@H](C(=O)O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H19NO2/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5,15H2,(H,16,17)/t13-/m0/s1
InChIKeyWUKCEKBFZXFCGI-ZDUSSCGKSA-N
XLogP2.82
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(4-cyclohexylphenyl)acetamide
CID 116850743
2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid
CID 117408120
2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid
CID 82090569
(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid
CID 13153059
4-[(4-cyclohexylphenyl)-sulfanylmethyl]benzoic acid
CID 22216670
4-amino-4-(4-cyclohexylphenyl)butan-2-one
CID 116940518
2-(4-cyclobutylphenyl)propanoic acid
CID 116506632
(2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid
CID 68534657
1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol
CID 116942075
1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-(4-methylphenyl)propanoic acid
CID 13153065

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid (CID 66512949) is (2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid is N[C@H](C(=O)O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid?
The InChIKey is WUKCEKBFZXFCGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO2/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5,15H2,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid?
(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid has a molecular weight of 233.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid is sourced from PubChem (CID 66512949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).