(4S)-4-amino-5-oxo-5-(propanoylamino)pentanoic acid

C8H14N2O4 — CID 54238901

IUPAC(4S)-4-amino-5-oxo-5-(propanoylamino)pentanoic acid
SMILESCCC(=O)NC(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C8H14N2O4/c1-2-6(11)10-8(14)5(9)3-4-7(12)13/h5H,2-4,9H2,1H3,(H,12,13)(H,10,11,14)/t5-/m0/s1
InChIKeyQOOIGVKLRZTTSP-YFKPBYRVSA-N
MW202.21 g/mol
LogP-0.77
Rot. Bonds5

About (4S)-4-amino-5-oxo-5-(propanoylamino)pentanoic acid

(4S)-4-amino-5-oxo-5-(propanoylamino)pentanoic acid (PubChem CID 54238901) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is (4S)-4-amino-5-oxo-5-(propanoylamino)pentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-oxo-5-(propanoylamino)pentanoic acid
PubChem CID54238901
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name(4S)-4-amino-5-oxo-5-(propanoylamino)pentanoic acid
SMILESCCC(=O)NC(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C8H14N2O4/c1-2-6(11)10-8(14)5(9)3-4-7(12)13/h5H,2-4,9H2,1H3,(H,12,13)(H,10,11,14)/t5-/m0/s1
InChIKeyQOOIGVKLRZTTSP-YFKPBYRVSA-N
XLogP-0.77
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4S)-4-amino-5-oxo-5-(propanoylamino)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

L-Theanine
CID 439378
L-Alanyl-L-Glutamine
CID 123935
gamma-Glutamyl-alpha-aminobutyrate
CID 7014903
Gamma-Glutamylalanine
CID 440103
Ophthalmic acid
CID 7018721
2-Amino-5-[(1-carboxyethyl)amino]-5-oxopentanoic acid
CID 5154674
Glu-Glu
CID 439500
4-(Glutamylamino)butanoate
CID 23724570
L-Glutamyl-glycine
CID 6427052
L-N-(3-Carboxypropyl)glutamine
CID 355553
Norophthalmic acid
CID 5489007
Glutamyl-norvaline
CID 87349698

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-oxo-5-(propanoylamino)pentanoic acid?
The IUPAC name of (4S)-4-amino-5-oxo-5-(propanoylamino)pentanoic acid (CID 54238901) is (4S)-4-amino-5-oxo-5-(propanoylamino)pentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-oxo-5-(propanoylamino)pentanoic acid?
The canonical SMILES for (4S)-4-amino-5-oxo-5-(propanoylamino)pentanoic acid is CCC(=O)NC(=O)[C@@H](N)CCC(=O)O.
What is the InChIKey of (4S)-4-amino-5-oxo-5-(propanoylamino)pentanoic acid?
The InChIKey is QOOIGVKLRZTTSP-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-2-6(11)10-8(14)5(9)3-4-7(12)13/h5H,2-4,9H2,1H3,(H,12,13)(H,10,11,14)/t5-/m0/s1.
What are the key properties of (4S)-4-amino-5-oxo-5-(propanoylamino)pentanoic acid?
(4S)-4-amino-5-oxo-5-(propanoylamino)pentanoic acid has a molecular weight of 202.21 g/mol, XLogP of -0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-oxo-5-(propanoylamino)pentanoic acid is sourced from PubChem (CID 54238901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).