3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid

C15H19N3O4 — CID 122089851

IUPAC3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid
SMILESCCN1C(=O)CCc2cc(NC(=O)NCCC(=O)O)ccc21
InChIInChI=1S/C15H19N3O4/c1-2-18-12-5-4-11(9-10(12)3-6-13(18)19)17-15(22)16-8-7-14(20)21/h4-5,9H,2-3,6-8H2,1H3,(H,20,21)(H2,16,17,22)
InChIKeyCJSCYTOUBZUBHW-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.58
Rot. Bonds5

About 3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid

3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid (PubChem CID 122089851) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid
PubChem CID122089851
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid
SMILESCCN1C(=O)CCc2cc(NC(=O)NCCC(=O)O)ccc21
InChIInChI=1S/C15H19N3O4/c1-2-18-12-5-4-11(9-10(12)3-6-13(18)19)17-15(22)16-8-7-14(20)21/h4-5,9H,2-3,6-8H2,1H3,(H,20,21)(H2,16,17,22)
InChIKeyCJSCYTOUBZUBHW-UHFFFAOYSA-N
XLogP1.58
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid
CID 122090477
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-pyridin-2-ylethyl)urea
CID 75522555
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea
CID 30376245
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
1-(3,4-dimethoxyphenyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376300
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid
CID 122078494
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylpropanamide
CID 20933537
1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea
CID 30376456
N-(1-ethyl-2-oxo-3H-indol-5-yl)acetamide
CID 20933157
phenyl N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate
CID 27639376
1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea
CID 91911275
2-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168608537

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid (CID 122089851) is 3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid is CCN1C(=O)CCc2cc(NC(=O)NCCC(=O)O)ccc21.
What is the InChIKey of 3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid?
The InChIKey is CJSCYTOUBZUBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-2-18-12-5-4-11(9-10(12)3-6-13(18)19)17-15(22)16-8-7-14(20)21/h4-5,9H,2-3,6-8H2,1H3,(H,20,21)(H2,16,17,22).
What are the key properties of 3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid?
3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid has a molecular weight of 305.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 122089851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).