2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid

C10H12ClNO4 — CID 83900024

IUPAC2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid
SMILESCOc1cc(Cl)c(OC)c(C(N)C(=O)O)c1
InChIInChI=1S/C10H12ClNO4/c1-15-5-3-6(8(12)10(13)14)9(16-2)7(11)4-5/h3-4,8H,12H2,1-2H3,(H,13,14)
InChIKeyWOPCELHLUAGHNN-UHFFFAOYSA-N
MW245.66 g/mol
LogP1.44
Rot. Bonds4

About 2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid

2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid (PubChem CID 83900024) has the molecular formula C10H12ClNO4 and a molecular weight of 245.66 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid
PubChem CID83900024
Molecular FormulaC10H12ClNO4
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Name2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid
SMILESCOc1cc(Cl)c(OC)c(C(N)C(=O)O)c1
InChIInChI=1S/C10H12ClNO4/c1-15-5-3-6(8(12)10(13)14)9(16-2)7(11)4-5/h3-4,8H,12H2,1-2H3,(H,13,14)
InChIKeyWOPCELHLUAGHNN-UHFFFAOYSA-N
XLogP1.44
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid
CID 117403289
2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid
CID 117413952
(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid
CID 66512330
methyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117406054
2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid
CID 117335291
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid
CID 117441313
(2S)-2-amino-2-(2-fluoro-5-methoxyphenyl)acetic acid
CID 66510641
2-amino-2-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)acetic acid
CID 117408925
2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117403292
2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid
CID 82623810
2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid
CID 117421670
2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid
CID 117426052

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid (CID 83900024) is 2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid is COc1cc(Cl)c(OC)c(C(N)C(=O)O)c1.
What is the InChIKey of 2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid?
The InChIKey is WOPCELHLUAGHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4/c1-15-5-3-6(8(12)10(13)14)9(16-2)7(11)4-5/h3-4,8H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid?
2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid has a molecular weight of 245.66 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid is sourced from PubChem (CID 83900024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).