3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid

C17H19N3O4 — CID 82212699

IUPAC3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cn(C2CC2)c2cccc(N)c2c1=O
InChIInChI=1S/C17H19N3O4/c1-19(8-7-14(21)22)17(24)11-9-20(10-5-6-10)13-4-2-3-12(18)15(13)16(11)23/h2-4,9-10H,5-8,18H2,1H3,(H,21,22)
InChIKeyWROFGNBSACXAAE-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.47
Rot. Bonds5

About 3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid

3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid (PubChem CID 82212699) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid
PubChem CID82212699
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cn(C2CC2)c2cccc(N)c2c1=O
InChIInChI=1S/C17H19N3O4/c1-19(8-7-14(21)22)17(24)11-9-20(10-5-6-10)13-4-2-3-12(18)15(13)16(11)23/h2-4,9-10H,5-8,18H2,1H3,(H,21,22)
InChIKeyWROFGNBSACXAAE-UHFFFAOYSA-N
XLogP1.47
TPSA105.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212683
5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid
CID 82212870
5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide
CID 82212580
5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide
CID 94947062
5-amino-N-butyl-N-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 94947273
5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide
CID 94947311
4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide
CID 166081815
1-cyclopropyl-4-methylindole-3-carboxylic acid
CID 115029078
5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212672
2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid
CID 82212467
3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 62715589
5-amino-N,1-diethyl-4-oxoquinoline-3-carboxamide
CID 82212545

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid (CID 82212699) is 3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)c1cn(C2CC2)c2cccc(N)c2c1=O.
What is the InChIKey of 3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid?
The InChIKey is WROFGNBSACXAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-19(8-7-14(21)22)17(24)11-9-20(10-5-6-10)13-4-2-3-12(18)15(13)16(11)23/h2-4,9-10H,5-8,18H2,1H3,(H,21,22).
What are the key properties of 3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid?
3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid has a molecular weight of 329.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 82212699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).