3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid

C16H18N2O2 — CID 66032758

IUPAC3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(NC2CCC(C(=O)O)C2)c2ccccc2n1
InChIInChI=1S/C16H18N2O2/c1-10-8-15(13-4-2-3-5-14(13)17-10)18-12-7-6-11(9-12)16(19)20/h2-5,8,11-12H,6-7,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyHXHBQVLQAZJIHJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.21
Rot. Bonds3

About 3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid

3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66032758) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID66032758
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(NC2CCC(C(=O)O)C2)c2ccccc2n1
InChIInChI=1S/C16H18N2O2/c1-10-8-15(13-4-2-3-5-14(13)17-10)18-12-7-6-11(9-12)16(19)20/h2-5,8,11-12H,6-7,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyHXHBQVLQAZJIHJ-UHFFFAOYSA-N
XLogP3.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Oxo-4-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]butanoic acid
CID 71462951
9-(5-Carboxypentylamino)acridine
CID 189837
(S)-2-Amino-3-quinolin-2-yl-propionic acid
CID 7006695
Benzenepropanoic acid, 2-(9-acridinylamino)-, monohydrochloride
CID 152583
3-[2-(Acridin-9-ylamino)phenyl]propanoic acid
CID 152584
Methyl 8-(acridin-9-ylamino)octanoate
CID 162660050
Propyl 6-(acridin-9-ylamino)hexanoate
CID 162665109
Ethyl 6-(acridin-9-ylamino)hexanoate
CID 162666363
2-(Acridin-9-ylamino)-3-methyl-butyric acid
CID 363150
methyl (4S)-4-acetamido-4-(6-fluoroquinolin-2-yl)butanoate
CID 146167358
2-(Acridin-9-ylamino)-5-guanidino-pentanoic acid
CID 363147
2-(Acridin-9-ylamino)-5-amino-5-oxopentanoic acid
CID 363148

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid (CID 66032758) is 3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid is Cc1cc(NC2CCC(C(=O)O)C2)c2ccccc2n1.
What is the InChIKey of 3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is HXHBQVLQAZJIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-8-15(13-4-2-3-5-14(13)17-10)18-12-7-6-11(9-12)16(19)20/h2-5,8,11-12H,6-7,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid?
3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).