3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid

C12H15N3O4 — CID 64890825

IUPAC3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
SMILESO=C(NCc1cccnc1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C12H15N3O4/c16-10(17)12(3-5-19-8-12)15-11(18)14-7-9-2-1-4-13-6-9/h1-2,4,6H,3,5,7-8H2,(H,16,17)(H2,14,15,18)
InChIKeyJHSFCVWIMLBPAY-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.12
Rot. Bonds4

About 3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid

3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid (PubChem CID 64890825) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
PubChem CID64890825
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
SMILESO=C(NCc1cccnc1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C12H15N3O4/c16-10(17)12(3-5-19-8-12)15-11(18)14-7-9-2-1-4-13-6-9/h1-2,4,6H,3,5,7-8H2,(H,16,17)(H2,14,15,18)
InChIKeyJHSFCVWIMLBPAY-UHFFFAOYSA-N
XLogP0.12
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892061
4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 106528154
3-(1H-1,2,4-triazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64893712
1-(pyridin-3-ylmethylamino)cyclohexane-1-carboxylic acid;dihydrochloride
CID 53422261
4-(2-pyridin-3-ylethyl)oxane-4-carboxylic acid
CID 79425505
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 120532728
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 115293169
1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 127566290
3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid
CID 64889268
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66407808
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid (CID 64890825) is 3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid is O=C(NCc1cccnc1)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid?
The InChIKey is JHSFCVWIMLBPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-10(17)12(3-5-19-8-12)15-11(18)14-7-9-2-1-4-13-6-9/h1-2,4,6H,3,5,7-8H2,(H,16,17)(H2,14,15,18).
What are the key properties of 3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid?
3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64890825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).