4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C13H20N4O4 — CID 79233469

IUPAC4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1CNC(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C13H20N4O4/c1-7-10(8(2)16(3)15-7)5-14-13(21)17-6-9(18)4-11(17)12(19)20/h9,11,18H,4-6H2,1-3H3,(H,14,21)(H,19,20)
InChIKeyOGFBNEZYHWKKIS-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.23
Rot. Bonds3

About 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 79233469) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID79233469
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1CNC(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C13H20N4O4/c1-7-10(8(2)16(3)15-7)5-14-13(21)17-6-9(18)4-11(17)12(19)20/h9,11,18H,4-6H2,1-3H3,(H,14,21)(H,19,20)
InChIKeyOGFBNEZYHWKKIS-UHFFFAOYSA-N
XLogP-0.23
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-4-hydroxy-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 64714932
4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43356916
(2R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106037747
(2S)-4-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 114128690
5-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122985
(2S,4R)-4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63842548
(2S)-4-hydroxy-1-[(2-methylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61203885
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120963
(2R,4R)-4-hydroxy-1-[(6-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78999350
(2S,4S)-1-[(2-ethylphenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712406
(2R,4R)-1-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79005050
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 115665281

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 79233469) is 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is Cc1nn(C)c(C)c1CNC(=O)N1CC(O)CC1C(=O)O.
What is the InChIKey of 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OGFBNEZYHWKKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-7-10(8(2)16(3)15-7)5-14-13(21)17-6-9(18)4-11(17)12(19)20/h9,11,18H,4-6H2,1-3H3,(H,14,21)(H,19,20).
What are the key properties of 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79233469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).