3-[(5-carbamoyl-2-pyridinyl)amino]oxolane-3-carboxylic acid

C11H13N3O4 — CID 64888492

IUPAC3-[(5-carbamoyl-2-pyridinyl)amino]oxolane-3-carboxylic acid
SMILESNC(=O)c1ccc(NC2(C(=O)O)CCOC2)nc1
InChIInChI=1S/C11H13N3O4/c12-9(15)7-1-2-8(13-5-7)14-11(10(16)17)3-4-18-6-11/h1-2,5H,3-4,6H2,(H2,12,15)(H,13,14)(H,16,17)
InChIKeyFZRGNYWAINPQSV-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.16
Rot. Bonds4

About 3-[(5-carbamoyl-2-pyridinyl)amino]oxolane-3-carboxylic acid

3-[(5-carbamoyl-2-pyridinyl)amino]oxolane-3-carboxylic acid (PubChem CID 64888492) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 3-[(5-carbamoyl-2-pyridinyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(5-carbamoyl-2-pyridinyl)amino]oxolane-3-carboxylic acid
PubChem CID64888492
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name3-[(5-carbamoyl-2-pyridinyl)amino]oxolane-3-carboxylic acid
SMILESNC(=O)c1ccc(NC2(C(=O)O)CCOC2)nc1
InChIInChI=1S/C11H13N3O4/c12-9(15)7-1-2-8(13-5-7)14-11(10(16)17)3-4-18-6-11/h1-2,5H,3-4,6H2,(H2,12,15)(H,13,14)(H,16,17)
InChIKeyFZRGNYWAINPQSV-UHFFFAOYSA-N
XLogP-0.16
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 61289753
3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64888056
3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 64889068
3-[(6-ethoxypyrazin-2-yl)amino]oxolane-3-carboxylic acid
CID 64889450
6-(cyclopentylamino)pyridine-3-carboxamide
CID 112722808
3-(2-chloroanilino)oxolane-3-carboxylic acid
CID 63333124
6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide
CID 114759134
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 120532728
ethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate
CID 114075090
3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 104638297
3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
CID 64890394

Frequently Asked Questions

What is the IUPAC name of 3-[(5-carbamoyl-2-pyridinyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(5-carbamoyl-2-pyridinyl)amino]oxolane-3-carboxylic acid (CID 64888492) is 3-[(5-carbamoyl-2-pyridinyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(5-carbamoyl-2-pyridinyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(5-carbamoyl-2-pyridinyl)amino]oxolane-3-carboxylic acid is NC(=O)c1ccc(NC2(C(=O)O)CCOC2)nc1.
What is the InChIKey of 3-[(5-carbamoyl-2-pyridinyl)amino]oxolane-3-carboxylic acid?
The InChIKey is FZRGNYWAINPQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c12-9(15)7-1-2-8(13-5-7)14-11(10(16)17)3-4-18-6-11/h1-2,5H,3-4,6H2,(H2,12,15)(H,13,14)(H,16,17).
What are the key properties of 3-[(5-carbamoyl-2-pyridinyl)amino]oxolane-3-carboxylic acid?
3-[(5-carbamoyl-2-pyridinyl)amino]oxolane-3-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-carbamoyl-2-pyridinyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).