2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid

C9H10ClNO4 — CID 117335291

IUPAC2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid
SMILESCOc1c(C(N)C(=O)O)ccc(Cl)c1O
InChIInChI=1S/C9H10ClNO4/c1-15-8-4(6(11)9(13)14)2-3-5(10)7(8)12/h2-3,6,12H,11H2,1H3,(H,13,14)
InChIKeyKCMXCTCGFKKHCH-UHFFFAOYSA-N
MW231.63 g/mol
LogP1.14
Rot. Bonds3

About 2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid

2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid (PubChem CID 117335291) has the molecular formula C9H10ClNO4 and a molecular weight of 231.63 g/mol. Its IUPAC name is 2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid
PubChem CID117335291
Molecular FormulaC9H10ClNO4
Molecular Weight231.63 g/mol
Exact Mass231.03
IUPAC Name2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid
SMILESCOc1c(C(N)C(=O)O)ccc(Cl)c1O
InChIInChI=1S/C9H10ClNO4/c1-15-8-4(6(11)9(13)14)2-3-5(10)7(8)12/h2-3,6,12H,11H2,1H3,(H,13,14)
InChIKeyKCMXCTCGFKKHCH-UHFFFAOYSA-N
XLogP1.14
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol
CID 117310235
(2S)-2-amino-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 66513090
2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid
CID 83900024
(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid
CID 66512330
2-amino-2-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)acetic acid
CID 117408925
2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid
CID 117403289
2-amino-2-(4-formyl-2,3-dimethoxyphenyl)acetic acid
CID 117350252
2-amino-2-(2-methoxy-3-methylphenyl)acetic acid
CID 82400552
2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid
CID 84691082
2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid
CID 117413952
2-amino-2-(2,4-dimethoxy-3-methylsulfanylphenyl)acetic acid
CID 117396441
2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid
CID 77128761

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid (CID 117335291) is 2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid is COc1c(C(N)C(=O)O)ccc(Cl)c1O.
What is the InChIKey of 2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid?
The InChIKey is KCMXCTCGFKKHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4/c1-15-8-4(6(11)9(13)14)2-3-5(10)7(8)12/h2-3,6,12H,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid?
2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid has a molecular weight of 231.63 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid is sourced from PubChem (CID 117335291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).