butanedioic acid;2-methyl-1H-imidazole

C8H12N2O4 — CID 19756743

IUPACbutanedioic acid;2-methyl-1H-imidazole
SMILESCc1ncc[nH]1.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6N2.C4H6O4/c1-4-5-2-3-6-4;5-3(6)1-2-4(7)8/h2-3H,1H3,(H,5,6);1-2H2,(H,5,6)(H,7,8)
InChIKeyDKPYKVKJLWGNRU-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.65
Rot. Bonds3

About butanedioic acid;2-methyl-1H-imidazole

butanedioic acid;2-methyl-1H-imidazole (PubChem CID 19756743) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is butanedioic acid;2-methyl-1H-imidazole.

Molecular Properties

Compound Namebutanedioic acid;2-methyl-1H-imidazole
PubChem CID19756743
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Namebutanedioic acid;2-methyl-1H-imidazole
SMILESCc1ncc[nH]1.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6N2.C4H6O4/c1-4-5-2-3-6-4;5-3(6)1-2-4(7)8/h2-3H,1H3,(H,5,6);1-2H2,(H,5,6)(H,7,8)
InChIKeyDKPYKVKJLWGNRU-UHFFFAOYSA-N
XLogP0.65
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butanedioic acid;2-methyl-1H-imidazole?
The IUPAC name of butanedioic acid;2-methyl-1H-imidazole (CID 19756743) is butanedioic acid;2-methyl-1H-imidazole.
What is the SMILES notation for butanedioic acid;2-methyl-1H-imidazole?
The canonical SMILES for butanedioic acid;2-methyl-1H-imidazole is Cc1ncc[nH]1.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;2-methyl-1H-imidazole?
The InChIKey is DKPYKVKJLWGNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C4H6O4/c1-4-5-2-3-6-4;5-3(6)1-2-4(7)8/h2-3H,1H3,(H,5,6);1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;2-methyl-1H-imidazole?
butanedioic acid;2-methyl-1H-imidazole has a molecular weight of 200.19 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;2-methyl-1H-imidazole is sourced from PubChem (CID 19756743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).