3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid

C15H16N2O3 — CID 61008095

IUPAC3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cccc2ncccc12
InChIInChI=1S/C15H16N2O3/c1-2-17(10-8-14(18)19)15(20)12-5-3-7-13-11(12)6-4-9-16-13/h3-7,9H,2,8,10H2,1H3,(H,18,19)
InChIKeyRSWADUZWNYRDQN-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.17
Rot. Bonds5

About 3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid

3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid (PubChem CID 61008095) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid
PubChem CID61008095
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cccc2ncccc12
InChIInChI=1S/C15H16N2O3/c1-2-17(10-8-14(18)19)15(20)12-5-3-7-13-11(12)6-4-9-16-13/h3-7,9H,2,8,10H2,1H3,(H,18,19)
InChIKeyRSWADUZWNYRDQN-UHFFFAOYSA-N
XLogP2.17
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide
CID 107482532
N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide
CID 26035305
3-[ethyl(isoquinoline-4-carbonyl)amino]propanoic acid
CID 120516852
3-methyl-1-quinolin-5-ylbut-3-en-1-one
CID 105112604
3-[(3-chloro-2-fluorobenzoyl)-ethylamino]propanoic acid
CID 81267764
N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 55218818
N-(2-bromoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 80666191
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide
CID 76951122
1-quinolin-5-ylhexan-1-one
CID 115789824
3-quinolin-5-ylpropanoic acid
CID 81224223
1-ethyl-3-(quinoline-5-carbonylamino)urea
CID 75417515
3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid
CID 61007107

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid (CID 61008095) is 3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1cccc2ncccc12.
What is the InChIKey of 3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid?
The InChIKey is RSWADUZWNYRDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-17(10-8-14(18)19)15(20)12-5-3-7-13-11(12)6-4-9-16-13/h3-7,9H,2,8,10H2,1H3,(H,18,19).
What are the key properties of 3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid?
3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61008095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).