2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid

C15H16N2O3 — CID 106536125

IUPAC2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid
SMILESCOc1cccc2c(NC(C(=O)O)C3CC3)nccc12
InChIInChI=1S/C15H16N2O3/c1-20-12-4-2-3-11-10(12)7-8-16-14(11)17-13(15(18)19)9-5-6-9/h2-4,7-9,13H,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyAOUWGKGCMBFIKC-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.52
Rot. Bonds5

About 2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid

2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid (PubChem CID 106536125) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid
PubChem CID106536125
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid
SMILESCOc1cccc2c(NC(C(=O)O)C3CC3)nccc12
InChIInChI=1S/C15H16N2O3/c1-20-12-4-2-3-11-10(12)7-8-16-14(11)17-13(15(18)19)9-5-6-9/h2-4,7-9,13H,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyAOUWGKGCMBFIKC-UHFFFAOYSA-N
XLogP2.52
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-[(5-methoxyisoquinolin-1-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

Related Compounds

methyl 2-[(5-methoxyisoquinolin-1-yl)amino]-3-methylbutanoate
CID 106536071
3-[(5-methoxyisoquinolin-1-yl)amino]butanamide
CID 106539785
1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540945
5-methoxy-N-pentan-3-ylisoquinolin-1-amine
CID 106537189
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
2-[(5-methoxyisoquinolin-1-yl)amino]-2-methylbutanoic acid
CID 106536335
4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid
CID 106536285
N-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine
CID 106542822
N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
CID 106539065
N-heptan-2-yl-5-methoxyisoquinolin-1-amine
CID 106538014
N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine
CID 106538850
5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine
CID 106538806

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid (CID 106536125) is 2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid is COc1cccc2c(NC(C(=O)O)C3CC3)nccc12.
What is the InChIKey of 2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid?
The InChIKey is AOUWGKGCMBFIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-12-4-2-3-11-10(12)7-8-16-14(11)17-13(15(18)19)9-5-6-9/h2-4,7-9,13H,5-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid?
2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid is sourced from PubChem (CID 106536125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).