(2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid

C13H13N3O4 — CID 102944700

IUPAC(2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(Nc1ccc2[nH]ncc2c1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C13H13N3O4/c17-12(10-3-4-11(20-10)13(18)19)15-8-1-2-9-7(5-8)6-14-16-9/h1-2,5-6,10-11H,3-4H2,(H,14,16)(H,15,17)(H,18,19)/t10-,11+/m0/s1
InChIKeyPIMPOAQWZYJHLM-WDEREUQCSA-N
MW275.26 g/mol
LogP1.13
Rot. Bonds3

About (2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid

(2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102944700) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is (2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102944700
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name(2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(Nc1ccc2[nH]ncc2c1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C13H13N3O4/c17-12(10-3-4-11(20-10)13(18)19)15-8-1-2-9-7(5-8)6-14-16-9/h1-2,5-6,10-11H,3-4H2,(H,14,16)(H,15,17)(H,18,19)/t10-,11+/m0/s1
InChIKeyPIMPOAQWZYJHLM-WDEREUQCSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 117073585
3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835019
(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944564
(3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide
CID 97079601
(2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945567
1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea
CID 166196110
5-[(4-methylsulfanylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687584
(2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 124606315
(2R)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 124606314
1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 117072886
1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea
CID 166286364
3-(cyclopropylamino)-N-(1H-indazol-5-yl)propanamide
CID 60866208

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid (CID 102944700) is (2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid is O=C(Nc1ccc2[nH]ncc2c1)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is PIMPOAQWZYJHLM-WDEREUQCSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-12(10-3-4-11(20-10)13(18)19)15-8-1-2-9-7(5-8)6-14-16-9/h1-2,5-6,10-11H,3-4H2,(H,14,16)(H,15,17)(H,18,19)/t10-,11+/m0/s1.
What are the key properties of (2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102944700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).