3-hydroxy-3-(1H-imidazol-5-yl)propanoic acid

C6H8N2O3 — CID 542760

IUPAC3-hydroxy-3-(1H-imidazol-5-yl)propanoic acid
SMILESO=C(O)CC(O)c1cnc[nH]1
InChIInChI=1S/C6H8N2O3/c9-5(1-6(10)11)4-2-7-3-8-4/h2-3,5,9H,1H2,(H,7,8)(H,10,11)
InChIKeyDHITUUWRKMDBMJ-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.08
Rot. Bonds3

About 3-hydroxy-3-(1H-imidazol-5-yl)propanoic acid

3-hydroxy-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 542760) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 3-hydroxy-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID542760
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name3-hydroxy-3-(1H-imidazol-5-yl)propanoic acid
SMILESO=C(O)CC(O)c1cnc[nH]1
InChIInChI=1S/C6H8N2O3/c9-5(1-6(10)11)4-2-7-3-8-4/h2-3,5,9H,1H2,(H,7,8)(H,10,11)
InChIKeyDHITUUWRKMDBMJ-UHFFFAOYSA-N
XLogP-0.08
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of 3-hydroxy-3-(1H-imidazol-5-yl)propanoic acid (CID 542760) is 3-hydroxy-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for 3-hydroxy-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for 3-hydroxy-3-(1H-imidazol-5-yl)propanoic acid is O=C(O)CC(O)c1cnc[nH]1.
What is the InChIKey of 3-hydroxy-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is DHITUUWRKMDBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c9-5(1-6(10)11)4-2-7-3-8-4/h2-3,5,9H,1H2,(H,7,8)(H,10,11).
What are the key properties of 3-hydroxy-3-(1H-imidazol-5-yl)propanoic acid?
3-hydroxy-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 156.14 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 542760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).