4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C11H16N4O4 — CID 54982278

IUPAC4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1[nH]ncc1CNC(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C11H16N4O4/c1-6-7(4-13-14-6)3-12-11(19)15-5-8(16)2-9(15)10(17)18/h4,8-9,16H,2-3,5H2,1H3,(H,12,19)(H,13,14)(H,17,18)
InChIKeyAGBOQUNIVDMMLK-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.55
Rot. Bonds3

About 4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 54982278) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID54982278
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1[nH]ncc1CNC(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C11H16N4O4/c1-6-7(4-13-14-6)3-12-11(19)15-5-8(16)2-9(15)10(17)18/h4,8-9,16H,2-3,5H2,1H3,(H,12,19)(H,13,14)(H,17,18)
InChIKeyAGBOQUNIVDMMLK-UHFFFAOYSA-N
XLogP-0.55
TPSA118.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 54982278) is 4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is Cc1[nH]ncc1CNC(=O)N1CC(O)CC1C(=O)O.
What is the InChIKey of 4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AGBOQUNIVDMMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-6-7(4-13-14-6)3-12-11(19)15-5-8(16)2-9(15)10(17)18/h4,8-9,16H,2-3,5H2,1H3,(H,12,19)(H,13,14)(H,17,18).
What are the key properties of 4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of -0.55, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54982278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).