1H-imidazole;3-methoxypropanoic acid

C7H12N2O3 — CID 70577075

IUPAC1H-imidazole;3-methoxypropanoic acid
SMILESCOCCC(=O)O.c1c[nH]cn1
InChIInChI=1S/C4H8O3.C3H4N2/c1-7-3-2-4(5)6;1-2-5-3-4-1/h2-3H2,1H3,(H,5,6);1-3H,(H,4,5)
InChIKeyMZXYUPNYNFBEJR-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.52
Rot. Bonds3

About 1H-imidazole;3-methoxypropanoic acid

1H-imidazole;3-methoxypropanoic acid (PubChem CID 70577075) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1H-imidazole;3-methoxypropanoic acid.

Molecular Properties

Compound Name1H-imidazole;3-methoxypropanoic acid
PubChem CID70577075
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1H-imidazole;3-methoxypropanoic acid
SMILESCOCCC(=O)O.c1c[nH]cn1
InChIInChI=1S/C4H8O3.C3H4N2/c1-7-3-2-4(5)6;1-2-5-3-4-1/h2-3H2,1H3,(H,5,6);1-3H,(H,4,5)
InChIKeyMZXYUPNYNFBEJR-UHFFFAOYSA-N
XLogP0.52
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;3-methoxypropanoic acid?
The IUPAC name of 1H-imidazole;3-methoxypropanoic acid (CID 70577075) is 1H-imidazole;3-methoxypropanoic acid.
What is the SMILES notation for 1H-imidazole;3-methoxypropanoic acid?
The canonical SMILES for 1H-imidazole;3-methoxypropanoic acid is COCCC(=O)O.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;3-methoxypropanoic acid?
The InChIKey is MZXYUPNYNFBEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C3H4N2/c1-7-3-2-4(5)6;1-2-5-3-4-1/h2-3H2,1H3,(H,5,6);1-3H,(H,4,5).
What are the key properties of 1H-imidazole;3-methoxypropanoic acid?
1H-imidazole;3-methoxypropanoic acid has a molecular weight of 172.18 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;3-methoxypropanoic acid is sourced from PubChem (CID 70577075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).