(2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid

C9H16N2O3 — CID 67409048

IUPAC(2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid
SMILESCC[C@H](C)[C@@H](C(=O)O)N1CCNC1=O
InChIInChI=1S/C9H16N2O3/c1-3-6(2)7(8(12)13)11-5-4-10-9(11)14/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t6-,7-/m0/s1
InChIKeyRDYJGOWHPJYHRP-BQBZGAKWSA-N
MW200.24 g/mol
LogP0.51
Rot. Bonds4

About (2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid

(2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid (PubChem CID 67409048) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid
PubChem CID67409048
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid
SMILESCC[C@H](C)[C@@H](C(=O)O)N1CCNC1=O
InChIInChI=1S/C9H16N2O3/c1-3-6(2)7(8(12)13)11-5-4-10-9(11)14/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t6-,7-/m0/s1
InChIKeyRDYJGOWHPJYHRP-BQBZGAKWSA-N
XLogP0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)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

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid (CID 67409048) is (2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid is CC[C@H](C)[C@@H](C(=O)O)N1CCNC1=O.
What is the InChIKey of (2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid?
The InChIKey is RDYJGOWHPJYHRP-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-6(2)7(8(12)13)11-5-4-10-9(11)14/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid?
(2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid is sourced from PubChem (CID 67409048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).