2-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid

C7H12N2O4 — CID 18647146

IUPAC2-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid
SMILESCC(C(=O)O)C1NC(=O)[C@H](CO)N1
InChIInChI=1S/C7H12N2O4/c1-3(7(12)13)5-8-4(2-10)6(11)9-5/h3-5,8,10H,2H2,1H3,(H,9,11)(H,12,13)/t3?,4-,5?/m0/s1
InChIKeyFRHLBAORUZEQRW-QHWRUIEBSA-N
MW188.18 g/mol
LogP-1.89
Rot. Bonds3

About 2-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid

2-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid (PubChem CID 18647146) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid
PubChem CID18647146
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid
SMILESCC(C(=O)O)C1NC(=O)[C@H](CO)N1
InChIInChI=1S/C7H12N2O4/c1-3(7(12)13)5-8-4(2-10)6(11)9-5/h3-5,8,10H,2H2,1H3,(H,9,11)(H,12,13)/t3?,4-,5?/m0/s1
InChIKeyFRHLBAORUZEQRW-QHWRUIEBSA-N
XLogP-1.89
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid?
The IUPAC name of 2-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid (CID 18647146) is 2-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid.
What is the SMILES notation for 2-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid?
The canonical SMILES for 2-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid is CC(C(=O)O)C1NC(=O)[C@H](CO)N1.
What is the InChIKey of 2-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid?
The InChIKey is FRHLBAORUZEQRW-QHWRUIEBSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-3(7(12)13)5-8-4(2-10)6(11)9-5/h3-5,8,10H,2H2,1H3,(H,9,11)(H,12,13)/t3?,4-,5?/m0/s1.
What are the key properties of 2-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid?
2-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid has a molecular weight of 188.18 g/mol, XLogP of -1.89, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid is sourced from PubChem (CID 18647146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).