3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid

C12H18N4O3 — CID 106982529

IUPAC3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)Cn2ccnn2)C1
InChIInChI=1S/C12H18N4O3/c1-9(2)12(11(18)19)3-5-15(8-12)10(17)7-16-6-4-13-14-16/h4,6,9H,3,5,7-8H2,1-2H3,(H,18,19)
InChIKeyAICKXUVQMIKWJW-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.24
Rot. Bonds4

About 3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid

3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 106982529) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID106982529
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)Cn2ccnn2)C1
InChIInChI=1S/C12H18N4O3/c1-9(2)12(11(18)19)3-5-15(8-12)10(17)7-16-6-4-13-14-16/h4,6,9H,3,5,7-8H2,1-2H3,(H,18,19)
InChIKeyAICKXUVQMIKWJW-UHFFFAOYSA-N
XLogP0.24
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]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

1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 154769913
3-propyl-1-[2-(triazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 115348165
3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 106982425
1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981561
3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 107323391
1-[2-(1-aminocyclohexyl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981575
1-[2-(4-bromophenyl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982759
1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981515
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982484
4-anilino-N,N-dimethyl-1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxamide
CID 155874156
1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-2-(triazol-1-yl)ethanone
CID 119073733
4-[2-(triazol-1-yl)acetyl]piperazine-2,6-dione
CID 115348358

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 106982529) is 3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(C(=O)Cn2ccnn2)C1.
What is the InChIKey of 3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is AICKXUVQMIKWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-9(2)12(11(18)19)3-5-15(8-12)10(17)7-16-6-4-13-14-16/h4,6,9H,3,5,7-8H2,1-2H3,(H,18,19).
What are the key properties of 3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106982529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).