(2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid

C10H12ClNO2 — CID 130839032

IUPAC(2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid
SMILESCc1ccc(Cl)c(C[C@H](N)C(=O)O)c1
InChIInChI=1S/C10H12ClNO2/c1-6-2-3-8(11)7(4-6)5-9(12)10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyXRAMSSIKOIODOJ-VIFPVBQESA-N
MW213.66 g/mol
LogP1.60
Rot. Bonds3

About (2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid

(2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid (PubChem CID 130839032) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid
PubChem CID130839032
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid
SMILESCc1ccc(Cl)c(C[C@H](N)C(=O)O)c1
InChIInChI=1S/C10H12ClNO2/c1-6-2-3-8(11)7(4-6)5-9(12)10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyXRAMSSIKOIODOJ-VIFPVBQESA-N
XLogP1.60
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(2-chloro-4-methylphenyl)propanoic acid;hydrochloride
CID 155822679
(2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid
CID 130690220
(2S)-2-amino-3-(2,5-dichlorophenyl)propanoic acid;hydrochloride
CID 71741657
(2R)-2-amino-3-(5-borono-2-chlorophenyl)propanoic acid
CID 167431302
2-chloro-3-(2-chloro-5-methylphenyl)propanamide
CID 107627819
(2S)-2-amino-3-[5-methyl-2-(trifluoromethyl)phenyl]propanoic acid
CID 93478155
2-amino-3-(5-methyl-2-propan-2-yloxyphenyl)propanoic acid
CID 117347034
(2S)-2-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 20841984
3-[2-(2-amino-2-carboxyethyl)-4,5-dichlorophenyl]-2-methylpropanoic acid
CID 18956366
1-(2-chloro-5-methylphenyl)propan-2-one
CID 58483794
2-amino-3-(2,3,4,5-tetrachlorophenyl)propanoic acid
CID 86089013
(2S)-2-amino-4-(2,5-dimethylphenyl)butanoic acid
CID 94767216

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid (CID 130839032) is (2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid is Cc1ccc(Cl)c(C[C@H](N)C(=O)O)c1.
What is the InChIKey of (2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid?
The InChIKey is XRAMSSIKOIODOJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-6-2-3-8(11)7(4-6)5-9(12)10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid?
(2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid has a molecular weight of 213.66 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-chloro-5-methylphenyl)propanoic acid is sourced from PubChem (CID 130839032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).