2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid

C10H12ClNO2 — CID 84783100

IUPAC2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid
SMILESCc1cc(C)c(C(N)C(=O)O)c(Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-5-3-6(2)8(7(11)4-5)9(12)10(13)14/h3-4,9H,12H2,1-2H3,(H,13,14)
InChIKeyDPLUEQOQXGEGAY-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.04
Rot. Bonds2

About 2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid

2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid (PubChem CID 84783100) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid
PubChem CID84783100
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid
SMILESCc1cc(C)c(C(N)C(=O)O)c(Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-5-3-6(2)8(7(11)4-5)9(12)10(13)14/h3-4,9H,12H2,1-2H3,(H,13,14)
InChIKeyDPLUEQOQXGEGAY-UHFFFAOYSA-N
XLogP2.04
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid
CID 84784304
3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid
CID 116938024
(2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid
CID 14550068
2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid
CID 84780586
2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid
CID 55297245
(2R)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 54026726
2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid
CID 15709414
(2R)-2-amino-2-(3-chloro-4-methylphenyl)acetic acid
CID 130742447
(2S)-2-amino-2-(2,4-dichloro-6-hydroxyphenyl)acetic acid
CID 66512891
(2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride
CID 162344171
2-amino-2-(3-bromo-4-hydroxy-2,6-dimethylphenyl)acetic acid
CID 84713750
4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid
CID 65298101

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid (CID 84783100) is 2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid is Cc1cc(C)c(C(N)C(=O)O)c(Cl)c1.
What is the InChIKey of 2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid?
The InChIKey is DPLUEQOQXGEGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-5-3-6(2)8(7(11)4-5)9(12)10(13)14/h3-4,9H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid?
2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid has a molecular weight of 213.66 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid is sourced from PubChem (CID 84783100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).