2-(2-amino-4-methylanilino)acetic acid

C9H12N2O2 — CID 62253680

IUPAC2-(2-amino-4-methylanilino)acetic acid
SMILESCc1ccc(NCC(=O)O)c(N)c1
InChIInChI=1S/C9H12N2O2/c1-6-2-3-8(7(10)4-6)11-5-9(12)13/h2-4,11H,5,10H2,1H3,(H,12,13)
InChIKeyWTPITXJTFMDFAL-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.07
Rot. Bonds3

About 2-(2-amino-4-methylanilino)acetic acid

2-(2-amino-4-methylanilino)acetic acid (PubChem CID 62253680) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(2-amino-4-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-amino-4-methylanilino)acetic acid
PubChem CID62253680
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(2-amino-4-methylanilino)acetic acid
SMILESCc1ccc(NCC(=O)O)c(N)c1
InChIInChI=1S/C9H12N2O2/c1-6-2-3-8(7(10)4-6)11-5-9(12)13/h2-4,11H,5,10H2,1H3,(H,12,13)
InChIKeyWTPITXJTFMDFAL-UHFFFAOYSA-N
XLogP1.07
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.07
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-(2-amino-4-methylanilino)acetamide
CID 43349420
2-(2-amino-4-methylanilino)-N-methylacetamide
CID 43310500
2-(2-amino-4-bromoanilino)acetic acid
CID 62253312
2-(2-amino-4-methylanilino)-N-cyclopropylacetamide
CID 43568194
2-(2-chloro-5-methylanilino)acetic acid
CID 103691548
2-(2-butyl-4-methylanilino)acetic acid
CID 54469152
1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine
CID 174946886
4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 60918123
1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine
CID 64682149
2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid
CID 18802501
4-(2-amino-4-methylanilino)-3,3-dimethylbutan-1-ol
CID 106140671
3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
CID 79385467

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylanilino)acetic acid?
The IUPAC name of 2-(2-amino-4-methylanilino)acetic acid (CID 62253680) is 2-(2-amino-4-methylanilino)acetic acid.
What is the SMILES notation for 2-(2-amino-4-methylanilino)acetic acid?
The canonical SMILES for 2-(2-amino-4-methylanilino)acetic acid is Cc1ccc(NCC(=O)O)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylanilino)acetic acid?
The InChIKey is WTPITXJTFMDFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-2-3-8(7(10)4-6)11-5-9(12)13/h2-4,11H,5,10H2,1H3,(H,12,13).
What are the key properties of 2-(2-amino-4-methylanilino)acetic acid?
2-(2-amino-4-methylanilino)acetic acid has a molecular weight of 180.21 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylanilino)acetic acid is sourced from PubChem (CID 62253680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).