3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid

C13H13N3O4 — CID 64888218

IUPAC3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1n[nH]c2ccccc12
InChIInChI=1S/C13H13N3O4/c17-11(14-13(12(18)19)5-6-20-7-13)10-8-3-1-2-4-9(8)15-16-10/h1-4H,5-7H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeySUIWDDAYKWGOBU-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.54
Rot. Bonds3

About 3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid

3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid (PubChem CID 64888218) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid
PubChem CID64888218
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1n[nH]c2ccccc12
InChIInChI=1S/C13H13N3O4/c17-11(14-13(12(18)19)5-6-20-7-13)10-8-3-1-2-4-9(8)15-16-10/h1-4H,5-7H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeySUIWDDAYKWGOBU-UHFFFAOYSA-N
XLogP0.54
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid
CID 64890184
N-(1-methylcyclohexyl)-1H-indazole-3-carboxamide
CID 61229539
1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449941
N-(3-methyloxolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 115769146
3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid
CID 64890738
4-(isoquinoline-1-carbonylamino)oxane-4-carboxylic acid
CID 119068389
N-[1-[(dimethylamino)methyl]cyclobutyl]-1H-indazole-3-carboxamide
CID 154735264
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-indazole-3-carboxamide
CID 114751357
3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 59621215
(3S)-3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 59621148
N-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide
CID 17488509
(3S)-3-[(3,5-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 141279182

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid (CID 64888218) is 3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)c1n[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid?
The InChIKey is SUIWDDAYKWGOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-11(14-13(12(18)19)5-6-20-7-13)10-8-3-1-2-4-9(8)15-16-10/h1-4H,5-7H2,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid?
3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64888218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).