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

C8H8ClNO2 — CID 738019

IUPAC(2S)-2-amino-2-(4-chlorophenyl)acetic acid
SMILESN[C@H](C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m0/s1
InChIKeyQGJGBYXRJVIYGA-ZETCQYMHSA-N
MW185.61 g/mol
LogP1.42
Rot. Bonds2

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

(2S)-2-amino-2-(4-chlorophenyl)acetic acid (PubChem CID 738019) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-chlorophenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-chlorophenyl)acetic acid
PubChem CID738019
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name(2S)-2-amino-2-(4-chlorophenyl)acetic acid
SMILESN[C@H](C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m0/s1
InChIKeyQGJGBYXRJVIYGA-ZETCQYMHSA-N
XLogP1.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Baclofen
CID 2284
Fenclonine
CID 4652
Arbaclofen
CID 44602
L-Phenylglycine
CID 99291
2-Phenylglycine
CID 3866
3-Amino-3-(4-chlorophenyl)propanoic acid
CID 344176
(S)-Baclofen
CID 44600
Phenylglycine, D-
CID 70134
2-Fluoro-DL-phenylglycine
CID 580073
(2R)-2-amino-3-(4-chlorophenyl)propanoic acid
CID 667429
4-Chloro-L-phenylalanine
CID 736190
Benzeneacetic acid, alpha-amino-4-chloro-
CID 587821

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-chlorophenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(4-chlorophenyl)acetic acid (CID 738019) is (2S)-2-amino-2-(4-chlorophenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(4-chlorophenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(4-chlorophenyl)acetic acid is N[C@H](C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-amino-2-(4-chlorophenyl)acetic acid?
The InChIKey is QGJGBYXRJVIYGA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H8ClNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-2-(4-chlorophenyl)acetic acid?
(2S)-2-amino-2-(4-chlorophenyl)acetic acid has a molecular weight of 185.61 g/mol, XLogP of 1.42, 2 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-chlorophenyl)acetic acid is sourced from PubChem (CID 738019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).