(3R)-3-methyl-1-[(Z)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid

C13H17N3O3 — CID 129407787

IUPAC(3R)-3-methyl-1-[(Z)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
SMILESCn1nccc1/C=C\C(=O)N1CC[C@@](C)(C(=O)O)C1
InChIInChI=1S/C13H17N3O3/c1-13(12(18)19)6-8-16(9-13)11(17)4-3-10-5-7-14-15(10)2/h3-5,7H,6,8-9H2,1-2H3,(H,18,19)/b4-3-/t13-/m1/s1
InChIKeySTGUKIYKLDTSFE-DHCBQETCSA-N
MW263.30 g/mol
LogP0.76
Rot. Bonds3

About (3R)-3-methyl-1-[(Z)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid

(3R)-3-methyl-1-[(Z)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid (PubChem CID 129407787) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (3R)-3-methyl-1-[(Z)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-methyl-1-[(Z)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
PubChem CID129407787
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(3R)-3-methyl-1-[(Z)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
SMILESCn1nccc1/C=C\C(=O)N1CC[C@@](C)(C(=O)O)C1
InChIInChI=1S/C13H17N3O3/c1-13(12(18)19)6-8-16(9-13)11(17)4-3-10-5-7-14-15(10)2/h3-5,7H,6,8-9H2,1-2H3,(H,18,19)/b4-3-/t13-/m1/s1
InChIKeySTGUKIYKLDTSFE-DHCBQETCSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3R)-3-methyl-1-[(Z)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]pyrrolidine-3-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

(3R)-1-[(Z)-3-(2-fluorophenyl)prop-2-enoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 129407779
1-[3-(furan-2-yl)prop-2-enoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 76986393
1-[3-(4-chlorophenyl)prop-2-enoyl]-4-methylpiperidine-4-carboxylic acid
CID 76982988
3-methyl-1-[3-(3-methylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 76986221
1-[3-(5-bromofuran-2-yl)prop-2-enoyl]-4-methylpiperidine-4-carboxylic acid
CID 76983023
1-[(E)-3-(3-aminophenyl)prop-2-enoyl]-3-methylpiperidine-3-carboxylic acid
CID 115344073
3-methyl-1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122092574
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
3-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 103009433
1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090412
1-(4-aminobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144123
3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 114040074

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[(Z)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-3-methyl-1-[(Z)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid (CID 129407787) is (3R)-3-methyl-1-[(Z)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-methyl-1-[(Z)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-methyl-1-[(Z)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid is Cn1nccc1/C=C\C(=O)N1CC[C@@](C)(C(=O)O)C1.
What is the InChIKey of (3R)-3-methyl-1-[(Z)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is STGUKIYKLDTSFE-DHCBQETCSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(12(18)19)6-8-16(9-13)11(17)4-3-10-5-7-14-15(10)2/h3-5,7H,6,8-9H2,1-2H3,(H,18,19)/b4-3-/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[(Z)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid?
(3R)-3-methyl-1-[(Z)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[(Z)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129407787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).