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

C10H15N3O4 — CID 28790128

IUPAC(2S,3S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-3-5(2)7(9(15)16)13-8(14)6-4-11-10(17)12-6/h4-5,7H,3H2,1-2H3,(H,13,14)(H,15,16)(H2,11,12,17)/t5-,7-/m0/s1
InChIKeyQERAOCAICVGHIN-FSPLSTOPSA-N
MW241.25 g/mol
LogP-0.07
Rot. Bonds5

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

(2S,3S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid (PubChem CID 28790128) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
PubChem CID28790128
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(2S,3S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-3-5(2)7(9(15)16)13-8(14)6-4-11-10(17)12-6/h4-5,7H,3H2,1-2H3,(H,13,14)(H,15,16)(H2,11,12,17)/t5-,7-/m0/s1
InChIKeyQERAOCAICVGHIN-FSPLSTOPSA-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,3S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

Orotyl-leucine
CID 28194900
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
(2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid
CID 28773336
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 (2S,3S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid (CID 28790128) is (2S,3S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid is CC[C@H](C)[C@H](NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is QERAOCAICVGHIN-FSPLSTOPSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-3-5(2)7(9(15)16)13-8(14)6-4-11-10(17)12-6/h4-5,7H,3H2,1-2H3,(H,13,14)(H,15,16)(H2,11,12,17)/t5-,7-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid?
(2S,3S)-3-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,3S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 28790128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).