(2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid

C13H13N3O4 — CID 61151942

IUPAC(2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C13H13N3O4/c17-7-5-10(13(19)20)16(6-7)12(18)11-8-3-1-2-4-9(8)14-15-11/h1-4,7,10,17H,5-6H2,(H,14,15)(H,19,20)/t7?,10-/m0/s1
InChIKeyBNPICHBEVJAYEM-MHPPCMCBSA-N
MW275.26 g/mol
LogP0.22
Rot. Bonds2

About (2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61151942) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61151942
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name(2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C13H13N3O4/c17-7-5-10(13(19)20)16(6-7)12(18)11-8-3-1-2-4-9(8)14-15-11/h1-4,7,10,17H,5-6H2,(H,14,15)(H,19,20)/t7?,10-/m0/s1
InChIKeyBNPICHBEVJAYEM-MHPPCMCBSA-N
XLogP0.22
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 61151942) is (2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)CN1C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of (2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BNPICHBEVJAYEM-MHPPCMCBSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-7-5-10(13(19)20)16(6-7)12(18)11-8-3-1-2-4-9(8)14-15-11/h1-4,7,10,17H,5-6H2,(H,14,15)(H,19,20)/t7?,10-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61151942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).