5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid

C15H15N3O5 — CID 163166214

IUPAC5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)c1nc2ccccc2cc1O)C(=O)O
InChIInChI=1S/C15H15N3O5/c16-12(20)6-5-10(15(22)23)18-14(21)13-11(19)7-8-3-1-2-4-9(8)17-13/h1-4,7,10,19H,5-6H2,(H2,16,20)(H,18,21)(H,22,23)
InChIKeySUYSEAZIUVYHDG-UHFFFAOYSA-N
MW317.30 g/mol
LogP0.39
Rot. Bonds6

About 5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid

5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 163166214) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is 5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid
PubChem CID163166214
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)c1nc2ccccc2cc1O)C(=O)O
InChIInChI=1S/C15H15N3O5/c16-12(20)6-5-10(15(22)23)18-14(21)13-11(19)7-8-3-1-2-4-9(8)17-13/h1-4,7,10,19H,5-6H2,(H2,16,20)(H,18,21)(H,22,23)
InChIKeySUYSEAZIUVYHDG-UHFFFAOYSA-N
XLogP0.39
TPSA142.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-[(2,5-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107721564
(2R)-5-amino-2-[(2,3-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107829776
(2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid
CID 54495250
(2S)-5-amino-2-[(3,4-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107728042
3-hydroxy-N-methylquinoline-2-carboxamide
CID 142526023
(2S)-5-amino-2-[(2-chloro-5-hydroxybenzoyl)amino]-5-oxopentanoic acid
CID 106500238
CID 68604008
CID 68604008
5-amino-2-[(3-bromobenzoyl)amino]-5-oxopentanoic acid
CID 24693335
(2S)-5-amino-2-(1H-indazole-7-carbonylamino)-5-oxopentanoic acid
CID 167788429
(2R)-5-amino-2-[(2-methylsulfanylbenzoyl)amino]-5-oxopentanoic acid
CID 107830012
5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid
CID 43176049
(2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid
CID 61144475

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid (CID 163166214) is 5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid is NC(=O)CCC(NC(=O)c1nc2ccccc2cc1O)C(=O)O.
What is the InChIKey of 5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is SUYSEAZIUVYHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c16-12(20)6-5-10(15(22)23)18-14(21)13-11(19)7-8-3-1-2-4-9(8)17-13/h1-4,7,10,19H,5-6H2,(H2,16,20)(H,18,21)(H,22,23).
What are the key properties of 5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid?
5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 317.30 g/mol, XLogP of 0.39, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 163166214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).