4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid

C13H17N3O4 — CID 66267870

IUPAC4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCc1cccnc1)C1COCC1C(=O)O
InChIInChI=1S/C13H17N3O4/c1-16(11-8-20-7-10(11)12(17)18)13(19)15-6-9-3-2-4-14-5-9/h2-5,10-11H,6-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyCZTSGDJQNYYOTI-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.32
Rot. Bonds4

About 4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid

4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66267870) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
PubChem CID66267870
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCc1cccnc1)C1COCC1C(=O)O
InChIInChI=1S/C13H17N3O4/c1-16(11-8-20-7-10(11)12(17)18)13(19)15-6-9-3-2-4-14-5-9/h2-5,10-11H,6-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyCZTSGDJQNYYOTI-UHFFFAOYSA-N
XLogP0.32
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66266331
4-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266134
4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 66252672
4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265943
4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 83113561
2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
CID 63645773
(2S)-N-(pyridin-3-ylmethyl)-1,4-dioxane-2-carboxamide
CID 39890239
1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea
CID 21487121
4-[methyl-[(1-methylcyclopentyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66267710
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61200236
2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133655

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid (CID 66267870) is 4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid is CN(C(=O)NCc1cccnc1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is CZTSGDJQNYYOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-16(11-8-20-7-10(11)12(17)18)13(19)15-6-9-3-2-4-14-5-9/h2-5,10-11H,6-8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66267870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).