1H-imidazole;propanoic acid

C6H10N2O2 — CID 21250915

IUPAC1H-imidazole;propanoic acid
SMILESCCC(=O)O.c1c[nH]cn1
InChIInChI=1S/C3H4N2.C3H6O2/c1-2-5-3-4-1;1-2-3(4)5/h1-3H,(H,4,5);2H2,1H3,(H,4,5)
InChIKeyLOKGSQPYZNBSSL-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.89
Rot. Bonds1

About 1H-imidazole;propanoic acid

1H-imidazole;propanoic acid (PubChem CID 21250915) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1H-imidazole;propanoic acid.

Molecular Properties

Compound Name1H-imidazole;propanoic acid
PubChem CID21250915
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1H-imidazole;propanoic acid
SMILESCCC(=O)O.c1c[nH]cn1
InChIInChI=1S/C3H4N2.C3H6O2/c1-2-5-3-4-1;1-2-3(4)5/h1-3H,(H,4,5);2H2,1H3,(H,4,5)
InChIKeyLOKGSQPYZNBSSL-UHFFFAOYSA-N
XLogP0.89
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;propanoic acid?
The IUPAC name of 1H-imidazole;propanoic acid (CID 21250915) is 1H-imidazole;propanoic acid.
What is the SMILES notation for 1H-imidazole;propanoic acid?
The canonical SMILES for 1H-imidazole;propanoic acid is CCC(=O)O.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;propanoic acid?
The InChIKey is LOKGSQPYZNBSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C3H6O2/c1-2-5-3-4-1;1-2-3(4)5/h1-3H,(H,4,5);2H2,1H3,(H,4,5).
What are the key properties of 1H-imidazole;propanoic acid?
1H-imidazole;propanoic acid has a molecular weight of 142.16 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;propanoic acid is sourced from PubChem (CID 21250915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).