2-amino-2-(2-amino-3-methylphenyl)acetic acid

C9H12N2O2 — CID 55282841

IUPAC2-amino-2-(2-amino-3-methylphenyl)acetic acid
SMILESCc1cccc(C(N)C(=O)O)c1N
InChIInChI=1S/C9H12N2O2/c1-5-3-2-4-6(7(5)10)8(11)9(12)13/h2-4,8H,10-11H2,1H3,(H,12,13)
InChIKeyLRURKGUNWXJHAG-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.66
Rot. Bonds2

About 2-amino-2-(2-amino-3-methylphenyl)acetic acid

2-amino-2-(2-amino-3-methylphenyl)acetic acid (PubChem CID 55282841) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-amino-2-(2-amino-3-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-amino-3-methylphenyl)acetic acid
PubChem CID55282841
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-amino-2-(2-amino-3-methylphenyl)acetic acid
SMILESCc1cccc(C(N)C(=O)O)c1N
InChIInChI=1S/C9H12N2O2/c1-5-3-2-4-6(7(5)10)8(11)9(12)13/h2-4,8H,10-11H2,1H3,(H,12,13)
InChIKeyLRURKGUNWXJHAG-UHFFFAOYSA-N
XLogP0.66
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride
CID 138109176
(3S)-3-amino-3-(2-amino-3-methylphenyl)propanoic acid
CID 131076446
2-amino-2-(2-methoxy-3-methylphenyl)acetic acid
CID 82400552
2-(2-amino-3-methylphenyl)-4-methylpentanoic acid
CID 106987995
2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid
CID 55297245
1-(2-amino-3-methylphenyl)-1-chloropropan-2-one
CID 130785658
2-methyl-6-propan-2-ylaniline
CID 162117439
2-(2-amino-3-methylphenyl)decanoic acid
CID 106987425
(2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 124510338
2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid
CID 82396670
2-methyl-6-propan-2-ylaniline;hydrofluoride
CID 174802119
(2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid
CID 130997783

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-amino-3-methylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(2-amino-3-methylphenyl)acetic acid (CID 55282841) is 2-amino-2-(2-amino-3-methylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-amino-3-methylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-amino-3-methylphenyl)acetic acid is Cc1cccc(C(N)C(=O)O)c1N.
What is the InChIKey of 2-amino-2-(2-amino-3-methylphenyl)acetic acid?
The InChIKey is LRURKGUNWXJHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-3-2-4-6(7(5)10)8(11)9(12)13/h2-4,8H,10-11H2,1H3,(H,12,13).
What are the key properties of 2-amino-2-(2-amino-3-methylphenyl)acetic acid?
2-amino-2-(2-amino-3-methylphenyl)acetic acid has a molecular weight of 180.21 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-amino-3-methylphenyl)acetic acid is sourced from PubChem (CID 55282841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).