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

C13H20N4O4 — CID 66266922

IUPAC4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCCc1nccn1C)C1COCC1C(=O)O
InChIInChI=1S/C13H20N4O4/c1-16-6-5-14-11(16)3-4-15-13(20)17(2)10-8-21-7-9(10)12(18)19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyRYESSYDGIHVYHJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.30
Rot. Bonds5

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

4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66266922) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66266922
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCCc1nccn1C)C1COCC1C(=O)O
InChIInChI=1S/C13H20N4O4/c1-16-6-5-14-11(16)3-4-15-13(20)17(2)10-8-21-7-9(10)12(18)19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyRYESSYDGIHVYHJ-UHFFFAOYSA-N
XLogP-0.30
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266133
4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267502
4-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266134
4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 83113561
4-[3-cyclopentylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 106005375
4-[methyl(3-methylsulfanylpropylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66265349
4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265735
4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266712
4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267870
4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66265543
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 81176837

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid (CID 66266922) is 4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid is CN(C(=O)NCCc1nccn1C)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is RYESSYDGIHVYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-16-6-5-14-11(16)3-4-15-13(20)17(2)10-8-21-7-9(10)12(18)19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid?
4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66266922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).