4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid

C12H18N4O4 — CID 66266133

IUPAC4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCc1nccn1C)C1COCC1C(=O)O
InChIInChI=1S/C12H18N4O4/c1-15-4-3-13-10(15)5-14-12(19)16(2)9-7-20-6-8(9)11(17)18/h3-4,8-9H,5-7H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyGNTZRRKUEQFSCF-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.34
Rot. Bonds4

About 4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid

4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66266133) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66266133
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCc1nccn1C)C1COCC1C(=O)O
InChIInChI=1S/C12H18N4O4/c1-15-4-3-13-10(15)5-14-12(19)16(2)9-7-20-6-8(9)11(17)18/h3-4,8-9H,5-7H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyGNTZRRKUEQFSCF-UHFFFAOYSA-N
XLogP-0.34
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266922
4-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266134
4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267502
4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267870
4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 81176837
4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265943
1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea
CID 96520297
4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266712
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66266331
4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 83113561
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid (CID 66266133) is 4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid is CN(C(=O)NCc1nccn1C)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is GNTZRRKUEQFSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-15-4-3-13-10(15)5-14-12(19)16(2)9-7-20-6-8(9)11(17)18/h3-4,8-9H,5-7H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid?
4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66266133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).