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

C15H16N2O2 — CID 55107861

IUPAC2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid
SMILESCc1cc(NC(C(=O)O)C2CC2)c2ccccc2n1
InChIInChI=1S/C15H16N2O2/c1-9-8-13(11-4-2-3-5-12(11)16-9)17-14(15(18)19)10-6-7-10/h2-5,8,10,14H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyYQMAABQCKMFHJO-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.82
Rot. Bonds4

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

2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid (PubChem CID 55107861) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid
PubChem CID55107861
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid
SMILESCc1cc(NC(C(=O)O)C2CC2)c2ccccc2n1
InChIInChI=1S/C15H16N2O2/c1-9-8-13(11-4-2-3-5-12(11)16-9)17-14(15(18)19)10-6-7-10/h2-5,8,10,14H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyYQMAABQCKMFHJO-UHFFFAOYSA-N
XLogP2.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
2-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 43631351
methyl 2-[(2-methylquinolin-4-yl)amino]propanoate
CID 43525443
2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284526
3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide
CID 106345922
3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66032758
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
2-amino-N-(2-methylquinolin-4-yl)cyclopentane-1-carboxamide
CID 64817916
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide
CID 79789951
2-methyl-N-(5-methylhexan-2-yl)quinolin-4-amine
CID 63926717
2-methyl-N-[1-(4-methylphenyl)ethyl]quinolin-4-amine
CID 63541977
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid (CID 55107861) is 2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid is Cc1cc(NC(C(=O)O)C2CC2)c2ccccc2n1.
What is the InChIKey of 2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid?
The InChIKey is YQMAABQCKMFHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-8-13(11-4-2-3-5-12(11)16-9)17-14(15(18)19)10-6-7-10/h2-5,8,10,14H,6-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid?
2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid has a molecular weight of 256.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid is sourced from PubChem (CID 55107861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).