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

C13H24N2O3 — CID 67405865

IUPAC(2S,3S)-2-tert-butyl-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid
SMILESCC[C@H](C)[C@](C(=O)O)(N1CCNC1=O)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-6-9(2)13(10(16)17,12(3,4)5)15-8-7-14-11(15)18/h9H,6-8H2,1-5H3,(H,14,18)(H,16,17)/t9-,13+/m0/s1
InChIKeyOYEKADLDCUORQT-TVQRCGJNSA-N
MW256.35 g/mol
LogP1.93
Rot. Bonds4

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

(2S,3S)-2-tert-butyl-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid (PubChem CID 67405865) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2S,3S)-2-tert-butyl-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-tert-butyl-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid
PubChem CID67405865
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2S,3S)-2-tert-butyl-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid
SMILESCC[C@H](C)[C@](C(=O)O)(N1CCNC1=O)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-6-9(2)13(10(16)17,12(3,4)5)15-8-7-14-11(15)18/h9H,6-8H2,1-5H3,(H,14,18)(H,16,17)/t9-,13+/m0/s1
InChIKeyOYEKADLDCUORQT-TVQRCGJNSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-tert-butyl-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid?
The IUPAC name of (2S,3S)-2-tert-butyl-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid (CID 67405865) is (2S,3S)-2-tert-butyl-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid.
What is the SMILES notation for (2S,3S)-2-tert-butyl-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid?
The canonical SMILES for (2S,3S)-2-tert-butyl-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid is CC[C@H](C)[C@](C(=O)O)(N1CCNC1=O)C(C)(C)C.
What is the InChIKey of (2S,3S)-2-tert-butyl-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid?
The InChIKey is OYEKADLDCUORQT-TVQRCGJNSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-6-9(2)13(10(16)17,12(3,4)5)15-8-7-14-11(15)18/h9H,6-8H2,1-5H3,(H,14,18)(H,16,17)/t9-,13+/m0/s1.
What are the key properties of (2S,3S)-2-tert-butyl-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid?
(2S,3S)-2-tert-butyl-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-tert-butyl-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid is sourced from PubChem (CID 67405865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).