5-oxo-3-[2-oxo-2-(propylamino)ethyl]-5-(propylamino)-3-(propylcarbamoyl)pentanoic acid

C17H31N3O5 — CID 90992121

IUPAC5-oxo-3-[2-oxo-2-(propylamino)ethyl]-5-(propylamino)-3-(propylcarbamoyl)pentanoic acid
SMILESCCCNC(=O)CC(CC(=O)O)(CC(=O)NCCC)C(=O)NCCC
InChIInChI=1S/C17H31N3O5/c1-4-7-18-13(21)10-17(12-15(23)24,16(25)20-9-6-3)11-14(22)19-8-5-2/h4-12H2,1-3H3,(H,18,21)(H,19,22)(H,20,25)(H,23,24)
InChIKeyXSBHYZCYPXNKLJ-UHFFFAOYSA-N
MW357.45 g/mol
LogP0.81
Rot. Bonds13

About 5-oxo-3-[2-oxo-2-(propylamino)ethyl]-5-(propylamino)-3-(propylcarbamoyl)pentanoic acid

5-oxo-3-[2-oxo-2-(propylamino)ethyl]-5-(propylamino)-3-(propylcarbamoyl)pentanoic acid (PubChem CID 90992121) has the molecular formula C17H31N3O5 and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-oxo-3-[2-oxo-2-(propylamino)ethyl]-5-(propylamino)-3-(propylcarbamoyl)pentanoic acid.

Molecular Properties

Compound Name5-oxo-3-[2-oxo-2-(propylamino)ethyl]-5-(propylamino)-3-(propylcarbamoyl)pentanoic acid
PubChem CID90992121
Molecular FormulaC17H31N3O5
Molecular Weight357.45 g/mol
Exact Mass357.23
IUPAC Name5-oxo-3-[2-oxo-2-(propylamino)ethyl]-5-(propylamino)-3-(propylcarbamoyl)pentanoic acid
SMILESCCCNC(=O)CC(CC(=O)O)(CC(=O)NCCC)C(=O)NCCC
InChIInChI=1S/C17H31N3O5/c1-4-7-18-13(21)10-17(12-15(23)24,16(25)20-9-6-3)11-14(22)19-8-5-2/h4-12H2,1-3H3,(H,18,21)(H,19,22)(H,20,25)(H,23,24)
InChIKeyXSBHYZCYPXNKLJ-UHFFFAOYSA-N
XLogP0.81
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-oxo-3-[2-oxo-2-(propylamino)ethyl]-5-(propylamino)-3-(propylcarbamoyl)pentanoic 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-({2-[(3-Carboxypropanoyl)amino]ethyl}amino)-5-oxopentanoic acid
CID 137350165
5-(Butylamino)-3-[2-(butylamino)-2-oxoethyl]-3-(butylcarbamoyl)-5-oxopentanoic acid
CID 91091883
5-(3-Aminopropylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933383
l-gamma-Glutamylneohexylamine
CID 82681723
2-(Propylcarbamoyl)cyclopropane-1-carboxylic acid
CID 18434114
3,3-Dimethyl-5-oxo-5-(propylamino)pentanoic acid
CID 25246552
2,3-Bis(2-acetamidoethyl)butanedioic acid
CID 53974164
3,3-Dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
5-(Ethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 58727915
(2R)-5-amino-4-methyl-5-oxo-2-[1-oxo-1-(propylamino)propan-2-yl]pentanoic acid
CID 59344563
5-(Isobutylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62935226
5-(Butylamino)-3-methyl-5-oxopentanoic acid
CID 62966247

Frequently Asked Questions

What is the IUPAC name of 5-oxo-3-[2-oxo-2-(propylamino)ethyl]-5-(propylamino)-3-(propylcarbamoyl)pentanoic acid?
The IUPAC name of 5-oxo-3-[2-oxo-2-(propylamino)ethyl]-5-(propylamino)-3-(propylcarbamoyl)pentanoic acid (CID 90992121) is 5-oxo-3-[2-oxo-2-(propylamino)ethyl]-5-(propylamino)-3-(propylcarbamoyl)pentanoic acid.
What is the SMILES notation for 5-oxo-3-[2-oxo-2-(propylamino)ethyl]-5-(propylamino)-3-(propylcarbamoyl)pentanoic acid?
The canonical SMILES for 5-oxo-3-[2-oxo-2-(propylamino)ethyl]-5-(propylamino)-3-(propylcarbamoyl)pentanoic acid is CCCNC(=O)CC(CC(=O)O)(CC(=O)NCCC)C(=O)NCCC.
What is the InChIKey of 5-oxo-3-[2-oxo-2-(propylamino)ethyl]-5-(propylamino)-3-(propylcarbamoyl)pentanoic acid?
The InChIKey is XSBHYZCYPXNKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O5/c1-4-7-18-13(21)10-17(12-15(23)24,16(25)20-9-6-3)11-14(22)19-8-5-2/h4-12H2,1-3H3,(H,18,21)(H,19,22)(H,20,25)(H,23,24).
What are the key properties of 5-oxo-3-[2-oxo-2-(propylamino)ethyl]-5-(propylamino)-3-(propylcarbamoyl)pentanoic acid?
5-oxo-3-[2-oxo-2-(propylamino)ethyl]-5-(propylamino)-3-(propylcarbamoyl)pentanoic acid has a molecular weight of 357.45 g/mol, XLogP of 0.81, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3-[2-oxo-2-(propylamino)ethyl]-5-(propylamino)-3-(propylcarbamoyl)pentanoic acid is sourced from PubChem (CID 90992121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).