2-[(4S)-2,4-bis(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid

C14H26N2O3 — CID 57024238

IUPAC2-[(4S)-2,4-bis(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid
SMILESCC(C)C[C@@H]1NC(CC(C)C)(C(C)C(=O)O)NC1=O
InChIInChI=1S/C14H26N2O3/c1-8(2)6-11-12(17)16-14(15-11,7-9(3)4)10(5)13(18)19/h8-11,15H,6-7H2,1-5H3,(H,16,17)(H,18,19)/t10?,11-,14?/m0/s1
InChIKeyWKGKBTRWZCDSPS-CVZZAPKMSA-N
MW270.37 g/mol
LogP1.58
Rot. Bonds6

About 2-[(4S)-2,4-bis(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid

2-[(4S)-2,4-bis(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid (PubChem CID 57024238) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(4S)-2,4-bis(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[(4S)-2,4-bis(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid
PubChem CID57024238
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(4S)-2,4-bis(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid
SMILESCC(C)C[C@@H]1NC(CC(C)C)(C(C)C(=O)O)NC1=O
InChIInChI=1S/C14H26N2O3/c1-8(2)6-11-12(17)16-14(15-11,7-9(3)4)10(5)13(18)19/h8-11,15H,6-7H2,1-5H3,(H,16,17)(H,18,19)/t10?,11-,14?/m0/s1
InChIKeyWKGKBTRWZCDSPS-CVZZAPKMSA-N
XLogP1.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,4-bis(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid?
The IUPAC name of 2-[(4S)-2,4-bis(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid (CID 57024238) is 2-[(4S)-2,4-bis(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid.
What is the SMILES notation for 2-[(4S)-2,4-bis(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid?
The canonical SMILES for 2-[(4S)-2,4-bis(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid is CC(C)C[C@@H]1NC(CC(C)C)(C(C)C(=O)O)NC1=O.
What is the InChIKey of 2-[(4S)-2,4-bis(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid?
The InChIKey is WKGKBTRWZCDSPS-CVZZAPKMSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-8(2)6-11-12(17)16-14(15-11,7-9(3)4)10(5)13(18)19/h8-11,15H,6-7H2,1-5H3,(H,16,17)(H,18,19)/t10?,11-,14?/m0/s1.
What are the key properties of 2-[(4S)-2,4-bis(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid?
2-[(4S)-2,4-bis(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,4-bis(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid is sourced from PubChem (CID 57024238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).