(2S)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid

C10H12N4O5 — CID 28791001

IUPAC(2S)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C10H12N4O5/c11-7(15)2-1-5(10(18)19)14-9(17)6-3-13-8(16)4-12-6/h3-5H,1-2H2,(H2,11,15)(H,13,16)(H,14,17)(H,18,19)/t5-/m0/s1
InChIKeyUHNOKQIZKTXVLU-YFKPBYRVSA-N
MW268.23 g/mol
LogP-1.78
Rot. Bonds6

About (2S)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid

(2S)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid (PubChem CID 28791001) has the molecular formula C10H12N4O5 and a molecular weight of 268.23 g/mol. Its IUPAC name is (2S)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
PubChem CID28791001
Molecular FormulaC10H12N4O5
Molecular Weight268.23 g/mol
Exact Mass268.08
IUPAC Name(2S)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C10H12N4O5/c11-7(15)2-1-5(10(18)19)14-9(17)6-3-13-8(16)4-12-6/h3-5H,1-2H2,(H2,11,15)(H,13,16)(H,14,17)(H,18,19)/t5-/m0/s1
InChIKeyUHNOKQIZKTXVLU-YFKPBYRVSA-N
XLogP-1.78
TPSA155.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]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

Gamma-glutamyl-dehydroalanyl-glycine
CID 129844003
Glutamyldehydroalanylglycine
CID 129849833
(2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28788867
(2S)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28788869
(2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28789632
(2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28789634
(2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
CID 28789884
(2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
CID 28789886
(2S,3S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28790018
(2R)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28790999
(2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
CID 28791059
(2S)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
CID 28791061

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid (CID 28791001) is (2S)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid is NC(=O)CC[C@H](NC(=O)c1c[nH]c(=O)cn1)C(=O)O.
What is the InChIKey of (2S)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is UHNOKQIZKTXVLU-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H12N4O5/c11-7(15)2-1-5(10(18)19)14-9(17)6-3-13-8(16)4-12-6/h3-5H,1-2H2,(H2,11,15)(H,13,16)(H,14,17)(H,18,19)/t5-/m0/s1.
What are the key properties of (2S)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
(2S)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 268.23 g/mol, XLogP of -1.78, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 28791001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).