2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid

C15H16N2O2 — CID 54945667

IUPAC2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid
SMILESCc1cc(N(CC(=O)O)C2CC2)c2ccccc2n1
InChIInChI=1S/C15H16N2O2/c1-10-8-14(12-4-2-3-5-13(12)16-10)17(9-15(18)19)11-6-7-11/h2-5,8,11H,6-7,9H2,1H3,(H,18,19)
InChIKeyVBPRXSDCFJUQQQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.60
Rot. Bonds4

About 2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid

2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid (PubChem CID 54945667) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid
PubChem CID54945667
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid
SMILESCc1cc(N(CC(=O)O)C2CC2)c2ccccc2n1
InChIInChI=1S/C15H16N2O2/c1-10-8-14(12-4-2-3-5-13(12)16-10)17(9-15(18)19)11-6-7-11/h2-5,8,11H,6-7,9H2,1H3,(H,18,19)
InChIKeyVBPRXSDCFJUQQQ-UHFFFAOYSA-N
XLogP2.60
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl-(2-methylquinolin-4-yl)amino]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

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid (CID 54945667) is 2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid is Cc1cc(N(CC(=O)O)C2CC2)c2ccccc2n1.
What is the InChIKey of 2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid?
The InChIKey is VBPRXSDCFJUQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-8-14(12-4-2-3-5-13(12)16-10)17(9-15(18)19)11-6-7-11/h2-5,8,11H,6-7,9H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid?
2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid is sourced from PubChem (CID 54945667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).