(2S,3S)-1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid

C13H17N3O3 — CID 122155900

IUPAC(2S,3S)-1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1c([C@@H]2[C@@H](C(=O)O)CC(=O)N2C2CC2)cnn1C
InChIInChI=1S/C13H17N3O3/c1-7-10(6-14-15(7)2)12-9(13(18)19)5-11(17)16(12)8-3-4-8/h6,8-9,12H,3-5H2,1-2H3,(H,18,19)/t9-,12-/m0/s1
InChIKeyNUZLYZNATGMPOK-CABZTGNLSA-N
MW263.30 g/mol
LogP0.87
Rot. Bonds3

About (2S,3S)-1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid

(2S,3S)-1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 122155900) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (2S,3S)-1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID122155900
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(2S,3S)-1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1c([C@@H]2[C@@H](C(=O)O)CC(=O)N2C2CC2)cnn1C
InChIInChI=1S/C13H17N3O3/c1-7-10(6-14-15(7)2)12-9(13(18)19)5-11(17)16(12)8-3-4-8/h6,8-9,12H,3-5H2,1-2H3,(H,18,19)/t9-,12-/m0/s1
InChIKeyNUZLYZNATGMPOK-CABZTGNLSA-N
XLogP0.87
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (2S,3S)-1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 122155900) is (2S,3S)-1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (2S,3S)-1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid is Cc1c([C@@H]2[C@@H](C(=O)O)CC(=O)N2C2CC2)cnn1C.
What is the InChIKey of (2S,3S)-1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is NUZLYZNATGMPOK-CABZTGNLSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-7-10(6-14-15(7)2)12-9(13(18)19)5-11(17)16(12)8-3-4-8/h6,8-9,12H,3-5H2,1-2H3,(H,18,19)/t9-,12-/m0/s1.
What are the key properties of (2S,3S)-1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
(2S,3S)-1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122155900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).