3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid

C17H23N3O4 — CID 122088702

IUPAC3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid
SMILESCCCN1C(=O)CCc2cc(NC(=O)N(C)CCC(=O)O)ccc21
InChIInChI=1S/C17H23N3O4/c1-3-9-20-14-6-5-13(11-12(14)4-7-15(20)21)18-17(24)19(2)10-8-16(22)23/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,24)(H,22,23)
InChIKeyDPBZRVKJLDAJQA-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.31
Rot. Bonds6

About 3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid

3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid (PubChem CID 122088702) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid
PubChem CID122088702
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid
SMILESCCCN1C(=O)CCc2cc(NC(=O)N(C)CCC(=O)O)ccc21
InChIInChI=1S/C17H23N3O4/c1-3-9-20-14-6-5-13(11-12(14)4-7-15(20)21)18-17(24)19(2)10-8-16(22)23/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,24)(H,22,23)
InChIKeyDPBZRVKJLDAJQA-UHFFFAOYSA-N
XLogP2.31
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 16926756
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926947
3,3-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)butanamide
CID 16926796
3-[methyl-[(1-oxo-2,3-dihydroinden-5-yl)carbamoyl]amino]propanoic acid
CID 122094560
(2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 97109094
3,5-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926766
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-2-phenoxybenzamide
CID 16926746
3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid
CID 122089851
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)thiophene-3-carboxamide
CID 71842958
3,4-dichloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926773
2,6-dimethoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926742
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide
CID 16926732

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid (CID 122088702) is 3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid is CCCN1C(=O)CCc2cc(NC(=O)N(C)CCC(=O)O)ccc21.
What is the InChIKey of 3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid?
The InChIKey is DPBZRVKJLDAJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-3-9-20-14-6-5-13(11-12(14)4-7-15(20)21)18-17(24)19(2)10-8-16(22)23/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,24)(H,22,23).
What are the key properties of 3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid?
3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid has a molecular weight of 333.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 122088702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).