2-(4-amino-N,2-dimethylanilino)acetic acid

C10H14N2O2 — CID 62253488

IUPAC2-(4-amino-N,2-dimethylanilino)acetic acid
SMILESCc1cc(N)ccc1N(C)CC(=O)O
InChIInChI=1S/C10H14N2O2/c1-7-5-8(11)3-4-9(7)12(2)6-10(13)14/h3-5H,6,11H2,1-2H3,(H,13,14)
InChIKeyMYNCHKYIQIUZKH-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.10
Rot. Bonds3

About 2-(4-amino-N,2-dimethylanilino)acetic acid

2-(4-amino-N,2-dimethylanilino)acetic acid (PubChem CID 62253488) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(4-amino-N,2-dimethylanilino)acetic acid.

Molecular Properties

Compound Name2-(4-amino-N,2-dimethylanilino)acetic acid
PubChem CID62253488
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(4-amino-N,2-dimethylanilino)acetic acid
SMILESCc1cc(N)ccc1N(C)CC(=O)O
InChIInChI=1S/C10H14N2O2/c1-7-5-8(11)3-4-9(7)12(2)6-10(13)14/h3-5H,6,11H2,1-2H3,(H,13,14)
InChIKeyMYNCHKYIQIUZKH-UHFFFAOYSA-N
XLogP1.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid
CID 62255633
2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide
CID 55005109
2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide
CID 113408910
1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine
CID 43165465
2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid
CID 103590283
1-N-(3-methoxypropyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62985550
2-(4-amino-N-butyl-2-methylanilino)acetamide
CID 55002760
2-(4-amino-N,2-dimethylanilino)propan-1-ol
CID 104551064
N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
CID 62003331
5-amino-2-(N,2,4-trimethylanilino)benzoic acid
CID 62001776
1-N-(2,4-dimethylphenyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62003179
1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine
CID 131048042

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N,2-dimethylanilino)acetic acid?
The IUPAC name of 2-(4-amino-N,2-dimethylanilino)acetic acid (CID 62253488) is 2-(4-amino-N,2-dimethylanilino)acetic acid.
What is the SMILES notation for 2-(4-amino-N,2-dimethylanilino)acetic acid?
The canonical SMILES for 2-(4-amino-N,2-dimethylanilino)acetic acid is Cc1cc(N)ccc1N(C)CC(=O)O.
What is the InChIKey of 2-(4-amino-N,2-dimethylanilino)acetic acid?
The InChIKey is MYNCHKYIQIUZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-5-8(11)3-4-9(7)12(2)6-10(13)14/h3-5H,6,11H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-amino-N,2-dimethylanilino)acetic acid?
2-(4-amino-N,2-dimethylanilino)acetic acid has a molecular weight of 194.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N,2-dimethylanilino)acetic acid is sourced from PubChem (CID 62253488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).