3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid

C15H19N3O4 — CID 122078494

IUPAC3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid
SMILESCC(=O)N1CCCc2cc(NC(=O)NCCC(=O)O)ccc21
InChIInChI=1S/C15H19N3O4/c1-10(19)18-8-2-3-11-9-12(4-5-13(11)18)17-15(22)16-7-6-14(20)21/h4-5,9H,2-3,6-8H2,1H3,(H,20,21)(H2,16,17,22)
InChIKeyMRBMWGVJEMRFMW-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.58
Rot. Bonds4

About 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid

3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid (PubChem CID 122078494) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid
PubChem CID122078494
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid
SMILESCC(=O)N1CCCc2cc(NC(=O)NCCC(=O)O)ccc21
InChIInChI=1S/C15H19N3O4/c1-10(19)18-8-2-3-11-9-12(4-5-13(11)18)17-15(22)16-7-6-14(20)21/h4-5,9H,2-3,6-8H2,1H3,(H,20,21)(H2,16,17,22)
InChIKeyMRBMWGVJEMRFMW-UHFFFAOYSA-N
XLogP1.58
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid
CID 122089851
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-chloro-2-fluoroacetamide
CID 166427902
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide
CID 7657049
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea
CID 30374073
2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
CID 20618502
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-2-methylpropanamide;hydrochloride
CID 119312863
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
CID 166206329
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-(hydroxymethyl)benzamide
CID 155952648
1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
CID 111336905
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 7656803

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid (CID 122078494) is 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid is CC(=O)N1CCCc2cc(NC(=O)NCCC(=O)O)ccc21.
What is the InChIKey of 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid?
The InChIKey is MRBMWGVJEMRFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-10(19)18-8-2-3-11-9-12(4-5-13(11)18)17-15(22)16-7-6-14(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-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid?
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid has a molecular weight of 305.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 122078494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).