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

C10H15N3O4 — CID 28788929

IUPAC(2S)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-5(2)3-6(9(15)16)12-8(14)7-4-11-10(17)13-7/h4-6H,3H2,1-2H3,(H,12,14)(H,15,16)(H2,11,13,17)/t6-/m0/s1
InChIKeyCGCLGRJDCVHXIX-LURJTMIESA-N
MW241.25 g/mol
LogP-0.07
Rot. Bonds5

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

(2S)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid (PubChem CID 28788929) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
PubChem CID28788929
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(2S)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-5(2)3-6(9(15)16)12-8(14)7-4-11-10(17)13-7/h4-6H,3H2,1-2H3,(H,12,14)(H,15,16)(H2,11,13,17)/t6-/m0/s1
InChIKeyCGCLGRJDCVHXIX-LURJTMIESA-N
XLogP-0.07
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2S)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-[(5-fluoro-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
CID 44382923
2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 44383690
Orotyl-leucine
CID 28194900
Orotyl-leucyl-leucine
CID 129689359
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)-3-methylpentanoic acid
CID 24693148
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)-4-methylpentanoic acid
CID 24700673
(2R)-2-methyl-4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 70215420
(2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid
CID 175798322
(6S)-3-amino-8-methyl-4-oxo-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 178138909
(2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylpentanoic acid
CID 28178335
(2R)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
CID 28194898
(2R)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
CID 28773276

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid (CID 28788929) is (2S)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid is CC(C)C[C@H](NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is CGCLGRJDCVHXIX-LURJTMIESA-N. The full InChI is InChI=1S/C10H15N3O4/c1-5(2)3-6(9(15)16)12-8(14)7-4-11-10(17)13-7/h4-6H,3H2,1-2H3,(H,12,14)(H,15,16)(H2,11,13,17)/t6-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid?
(2S)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.07, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 28788929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).