1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid

C15H17N3O2 — CID 115450488

IUPAC1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESN#Cc1cc2c(nc1NCC1(C(=O)O)CC1)CCCC2
InChIInChI=1S/C15H17N3O2/c16-8-11-7-10-3-1-2-4-12(10)18-13(11)17-9-15(5-6-15)14(19)20/h7H,1-6,9H2,(H,17,18)(H,19,20)
InChIKeyLSANJMYCPCIANS-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.11
Rot. Bonds4

About 1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450488) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115450488
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESN#Cc1cc2c(nc1NCC1(C(=O)O)CC1)CCCC2
InChIInChI=1S/C15H17N3O2/c16-8-11-7-10-3-1-2-4-12(10)18-13(11)17-9-15(5-6-15)14(19)20/h7H,1-6,9H2,(H,17,18)(H,19,20)
InChIKeyLSANJMYCPCIANS-UHFFFAOYSA-N
XLogP2.11
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic 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

1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid
CID 81164240
2-(3-hydroxypropylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940405
2-(4-hydroxybutylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106842232
2-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]butanoic acid
CID 65226528
2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103742965
2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980187
2-[[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]methyl]butanoic acid
CID 65226430
2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 55082442
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid
CID 115585626
3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid
CID 64699609
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106185583
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115450488) is 1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid is N#Cc1cc2c(nc1NCC1(C(=O)O)CC1)CCCC2.
What is the InChIKey of 1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is LSANJMYCPCIANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-8-11-7-10-3-1-2-4-12(10)18-13(11)17-9-15(5-6-15)14(19)20/h7H,1-6,9H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).