1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid

C14H14N2O2 — CID 114203535

IUPAC1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NCc2cnc3ccccc3c2)CC1
InChIInChI=1S/C14H14N2O2/c17-13(18)14(5-6-14)16-9-10-7-11-3-1-2-4-12(11)15-8-10/h1-4,7-8,16H,5-6,9H2,(H,17,18)
InChIKeyGJKLVZJDCCHSMB-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.94
Rot. Bonds4

About 1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid

1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid (PubChem CID 114203535) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid
PubChem CID114203535
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NCc2cnc3ccccc3c2)CC1
InChIInChI=1S/C14H14N2O2/c17-13(18)14(5-6-14)16-9-10-7-11-3-1-2-4-12(11)15-8-10/h1-4,7-8,16H,5-6,9H2,(H,17,18)
InChIKeyGJKLVZJDCCHSMB-UHFFFAOYSA-N
XLogP1.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
N-(quinolin-3-ylmethyl)aniline
CID 12573835
cis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid
CID 167873858
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747
4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid
CID 146133231
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
1-(quinolin-3-ylmethylamino)ethanol
CID 143559456
3-[(sulfinatoamino)methyl]quinoline
CID 67383747
methyl 3-(quinolin-3-ylmethylamino)propanoate
CID 114203484
2-(2-fluorophenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733805
3-hydroxy-N-(quinolin-3-ylmethyl)benzamide
CID 110472397

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid (CID 114203535) is 1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid is O=C(O)C1(NCc2cnc3ccccc3c2)CC1.
What is the InChIKey of 1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid?
The InChIKey is GJKLVZJDCCHSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-13(18)14(5-6-14)16-9-10-7-11-3-1-2-4-12(11)15-8-10/h1-4,7-8,16H,5-6,9H2,(H,17,18).
What are the key properties of 1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid?
1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 114203535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).