3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid

C7H12N2O4 — CID 67896828

IUPAC3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid
SMILESO=C(O)CCC1NC(=O)[C@H](CO)N1
InChIInChI=1S/C7H12N2O4/c10-3-4-7(13)9-5(8-4)1-2-6(11)12/h4-5,8,10H,1-3H2,(H,9,13)(H,11,12)/t4-,5?/m0/s1
InChIKeyHQLMSAUXGNKWIM-ROLXFIACSA-N
MW188.18 g/mol
LogP-1.74
Rot. Bonds4

About 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid

3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid (PubChem CID 67896828) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid
PubChem CID67896828
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid
SMILESO=C(O)CCC1NC(=O)[C@H](CO)N1
InChIInChI=1S/C7H12N2O4/c10-3-4-7(13)9-5(8-4)1-2-6(11)12/h4-5,8,10H,1-3H2,(H,9,13)(H,11,12)/t4-,5?/m0/s1
InChIKeyHQLMSAUXGNKWIM-ROLXFIACSA-N
XLogP-1.74
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid?
The IUPAC name of 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid (CID 67896828) is 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid is O=C(O)CCC1NC(=O)[C@H](CO)N1.
What is the InChIKey of 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid?
The InChIKey is HQLMSAUXGNKWIM-ROLXFIACSA-N. The full InChI is InChI=1S/C7H12N2O4/c10-3-4-7(13)9-5(8-4)1-2-6(11)12/h4-5,8,10H,1-3H2,(H,9,13)(H,11,12)/t4-,5?/m0/s1.
What are the key properties of 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid?
3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid has a molecular weight of 188.18 g/mol, XLogP of -1.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid is sourced from PubChem (CID 67896828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).