(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid

C9H10ClNO3 — CID 66512330

IUPAC(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid
SMILESCOc1ccc(Cl)c([C@H](N)C(=O)O)c1
InChIInChI=1S/C9H10ClNO3/c1-14-5-2-3-7(10)6(4-5)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyUCOMJNDVRIZAKW-QMMMGPOBSA-N
MW215.64 g/mol
LogP1.43
Rot. Bonds3

About (2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid

(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid (PubChem CID 66512330) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid
PubChem CID66512330
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid
SMILESCOc1ccc(Cl)c([C@H](N)C(=O)O)c1
InChIInChI=1S/C9H10ClNO3/c1-14-5-2-3-7(10)6(4-5)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyUCOMJNDVRIZAKW-QMMMGPOBSA-N
XLogP1.43
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(2-fluoro-5-methoxyphenyl)acetic acid
CID 66510641
2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid
CID 83900024
2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid
CID 82623810
(2R)-2-amino-2-(2,5-dichlorophenyl)acetic acid;hydrochloride
CID 162344521
(2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid
CID 66510542
1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one
CID 131170136
2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid
CID 117323079
2-amino-2-(4-methoxy-2-methylsulfonylphenyl)acetic acid
CID 84806180
3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol
CID 84681414
2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid
CID 117335291
4-(2-chloro-5-methoxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877550
2-[(2-chloro-5-methoxyphenyl)methyl]propanedioic acid
CID 67770104

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid (CID 66512330) is (2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid is COc1ccc(Cl)c([C@H](N)C(=O)O)c1.
What is the InChIKey of (2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid?
The InChIKey is UCOMJNDVRIZAKW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-14-5-2-3-7(10)6(4-5)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid?
(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid has a molecular weight of 215.64 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid is sourced from PubChem (CID 66512330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).