(2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid

C9H12N4O5 — CID 28791059

IUPAC(2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C9H12N4O5/c10-6(14)2-1-4(8(16)17)12-7(15)5-3-11-9(18)13-5/h3-4H,1-2H2,(H2,10,14)(H,12,15)(H,16,17)(H2,11,13,18)/t4-/m1/s1
InChIKeyBNWQHVUJCAXPCI-SCSAIBSYSA-N
MW256.22 g/mol
LogP-1.85
Rot. Bonds6

About (2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid

(2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid (PubChem CID 28791059) has the molecular formula C9H12N4O5 and a molecular weight of 256.22 g/mol. Its IUPAC name is (2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
PubChem CID28791059
Molecular FormulaC9H12N4O5
Molecular Weight256.22 g/mol
Exact Mass256.08
IUPAC Name(2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C9H12N4O5/c10-6(14)2-1-4(8(16)17)12-7(15)5-3-11-9(18)13-5/h3-4H,1-2H2,(H2,10,14)(H,12,15)(H,16,17)(H2,11,13,18)/t4-/m1/s1
InChIKeyBNWQHVUJCAXPCI-SCSAIBSYSA-N
XLogP-1.85
TPSA158.14 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-1.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze (2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-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

(S)-5-amino-2-((S)-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)-5-oxopentanoic acid
CID 44413723
Gamma-glutamyl-dehydroalanyl-glycine
CID 129844003
2-(2-Aminopropanoylamino)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid
CID 58503448
Glutamyldehydroalanylglycine
CID 129849833
5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid
CID 24710087
(2R)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid
CID 28214125
(2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid
CID 28214127
(2R)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid
CID 28773370
(2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid
CID 28773372
6-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
CID 28788693
(2R)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
CID 28788927
(2S)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
CID 28788929

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid (CID 28791059) is (2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid is NC(=O)CC[C@@H](NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of (2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is BNWQHVUJCAXPCI-SCSAIBSYSA-N. The full InChI is InChI=1S/C9H12N4O5/c10-6(14)2-1-4(8(16)17)12-7(15)5-3-11-9(18)13-5/h3-4H,1-2H2,(H2,10,14)(H,12,15)(H,16,17)(H2,11,13,18)/t4-/m1/s1.
What are the key properties of (2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid?
(2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 256.22 g/mol, XLogP of -1.85, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-5-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 28791059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).