1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid

C10H14N4O3 — CID 63006196

IUPAC1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCn2ccnn2)C1
InChIInChI=1S/C10H14N4O3/c15-9(2-5-14-6-3-11-12-14)13-4-1-8(7-13)10(16)17/h3,6,8H,1-2,4-5,7H2,(H,16,17)
InChIKeySXMAONCMVXGKFH-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.40
Rot. Bonds4

About 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid

1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63006196) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID63006196
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCn2ccnn2)C1
InChIInChI=1S/C10H14N4O3/c15-9(2-5-14-6-3-11-12-14)13-4-1-8(7-13)10(16)17/h3,6,8H,1-2,4-5,7H2,(H,16,17)
InChIKeySXMAONCMVXGKFH-UHFFFAOYSA-N
XLogP-0.40
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(triazol-1-yl)propanoyl]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

3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 114278479
1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 43417117
1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 43556263
1-(3-hydroxyazetidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 63106204
1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride
CID 119377867
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 80552633
1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 104974882
1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43211077
1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119354851
3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 107323391
(3aS,6aR)-2-[3-(triazol-1-yl)propanoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120681966
1-(3-phenothiazin-10-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119355124

Frequently Asked Questions

What is the IUPAC name of 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid (CID 63006196) is 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)CCn2ccnn2)C1.
What is the InChIKey of 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is SXMAONCMVXGKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-9(2-5-14-6-3-11-12-14)13-4-1-8(7-13)10(16)17/h3,6,8H,1-2,4-5,7H2,(H,16,17).
What are the key properties of 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid?
1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63006196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).