2-(N-cyclopropyl-4-methylanilino)acetic acid

C12H15NO2 — CID 103439947

IUPAC2-(N-cyclopropyl-4-methylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C12H15NO2/c1-9-2-4-10(5-3-9)13(8-12(14)15)11-6-7-11/h2-5,11H,6-8H2,1H3,(H,14,15)
InChIKeyVIRQKANOXSWVRO-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.05
Rot. Bonds4

About 2-(N-cyclopropyl-4-methylanilino)acetic acid

2-(N-cyclopropyl-4-methylanilino)acetic acid (PubChem CID 103439947) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(N-cyclopropyl-4-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-cyclopropyl-4-methylanilino)acetic acid
PubChem CID103439947
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(N-cyclopropyl-4-methylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C12H15NO2/c1-9-2-4-10(5-3-9)13(8-12(14)15)11-6-7-11/h2-5,11H,6-8H2,1H3,(H,14,15)
InChIKeyVIRQKANOXSWVRO-UHFFFAOYSA-N
XLogP2.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-(N-cyclopropyl-4-methylanilino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-cyclobutyl-4-methylanilino)acetic acid
CID 65059457
2-(4-methyl-N-(3-methylcyclopentyl)anilino)acetic acid
CID 65059121
2-[4-methyl-N-(oxepan-4-yl)anilino]acetic acid
CID 65080724
3-(N-(1-ethylpiperidin-4-yl)-4-methylanilino)propanoic acid
CID 65059499
2-(N-(1,5-dimethylpyrrolidin-3-yl)-4-methylanilino)acetic acid
CID 81467547
2-(4-methyl-N-(2,4,4-trimethylcyclohexyl)anilino)acetic acid
CID 81305522
3-(4-methyl-N-(2-methylcyclopentyl)anilino)propanoic acid
CID 65059645
2-(4-chloro-N-(3,4-dimethylcyclohexyl)anilino)acetic acid
CID 64739402
2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid
CID 81274144
2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid
CID 60840698
2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid
CID 61194123
2-(4-chloro-N-(4-ethylcycloheptyl)anilino)acetic acid
CID 65087089

Frequently Asked Questions

What is the IUPAC name of 2-(N-cyclopropyl-4-methylanilino)acetic acid?
The IUPAC name of 2-(N-cyclopropyl-4-methylanilino)acetic acid (CID 103439947) is 2-(N-cyclopropyl-4-methylanilino)acetic acid.
What is the SMILES notation for 2-(N-cyclopropyl-4-methylanilino)acetic acid?
The canonical SMILES for 2-(N-cyclopropyl-4-methylanilino)acetic acid is Cc1ccc(N(CC(=O)O)C2CC2)cc1.
What is the InChIKey of 2-(N-cyclopropyl-4-methylanilino)acetic acid?
The InChIKey is VIRQKANOXSWVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-2-4-10(5-3-9)13(8-12(14)15)11-6-7-11/h2-5,11H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-(N-cyclopropyl-4-methylanilino)acetic acid?
2-(N-cyclopropyl-4-methylanilino)acetic acid has a molecular weight of 205.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-cyclopropyl-4-methylanilino)acetic acid is sourced from PubChem (CID 103439947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).