4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid

C8H14N2O4 — CID 123673519

IUPAC4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid
SMILESCC(=O)CNC(=O)C(N)CCC(=O)O
InChIInChI=1S/C8H14N2O4/c1-5(11)4-10-8(14)6(9)2-3-7(12)13/h6H,2-4,9H2,1H3,(H,10,14)(H,12,13)
InChIKeyUNFDSSYUNPZBQC-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.12
Rot. Bonds6

About 4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid

4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid (PubChem CID 123673519) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid
PubChem CID123673519
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid
SMILESCC(=O)CNC(=O)C(N)CCC(=O)O
InChIInChI=1S/C8H14N2O4/c1-5(11)4-10-8(14)6(9)2-3-7(12)13/h6H,2-4,9H2,1H3,(H,10,14)(H,12,13)
InChIKeyUNFDSSYUNPZBQC-UHFFFAOYSA-N
XLogP-1.12
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-oxo-5-(2-oxopropylamino)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

4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64890076
4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid
CID 65106502
4-amino-5-hydrazinyl-5-oxopentanoic acid
CID 19915596
4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid
CID 107842457
(2S)-2-[[2-[[(2S)-2-amino-4-carboxybutanoyl]amino]acetyl]amino]butanedioic acid
CID 25167013
4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid
CID 114134040
4-amino-5-[[2-[[4-carboxy-1-(1-carboxyethylamino)-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 18265332
4-amino-5-(methylsulfanylamino)-5-oxopentanoic acid
CID 123930229
2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]acetyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 18265337
4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid
CID 66168915
4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64890122
(4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid
CID 168928235

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid (CID 123673519) is 4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid is CC(=O)CNC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid?
The InChIKey is UNFDSSYUNPZBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-5(11)4-10-8(14)6(9)2-3-7(12)13/h6H,2-4,9H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid?
4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid has a molecular weight of 202.21 g/mol, XLogP of -1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid is sourced from PubChem (CID 123673519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).