3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid

C13H17N3O4 — CID 64892061

IUPAC3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCc1ccc(CNC(=O)NC2(C(=O)O)CCOC2)cn1
InChIInChI=1S/C13H17N3O4/c1-9-2-3-10(6-14-9)7-15-12(19)16-13(11(17)18)4-5-20-8-13/h2-3,6H,4-5,7-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyVCILNCWAKIMXTG-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.43
Rot. Bonds4

About 3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid

3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 64892061) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID64892061
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCc1ccc(CNC(=O)NC2(C(=O)O)CCOC2)cn1
InChIInChI=1S/C13H17N3O4/c1-9-2-3-10(6-14-9)7-15-12(19)16-13(11(17)18)4-5-20-8-13/h2-3,6H,4-5,7-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyVCILNCWAKIMXTG-UHFFFAOYSA-N
XLogP0.43
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-methyl-3-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 62996002
3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64890825
3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 64891810
4-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 115293006
4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 106528154
3-(1H-1,2,4-triazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64893712
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 115293169
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 104756694
4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541563
3-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892261
3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 106303831

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid (CID 64892061) is 3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid is Cc1ccc(CNC(=O)NC2(C(=O)O)CCOC2)cn1.
What is the InChIKey of 3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is VCILNCWAKIMXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-9-2-3-10(6-14-9)7-15-12(19)16-13(11(17)18)4-5-20-8-13/h2-3,6H,4-5,7-8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64892061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).