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

C10H14N4O3 — CID 43211077

IUPAC1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CCn1ccnn1
InChIInChI=1S/C10H14N4O3/c15-9(3-6-13-7-4-11-12-13)14-5-1-2-8(14)10(16)17/h4,7-8H,1-3,5-6H2,(H,16,17)
InChIKeyDSWAEHOVJRDEEY-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.26
Rot. Bonds4

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

1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 43211077) 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-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID43211077
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CCn1ccnn1
InChIInChI=1S/C10H14N4O3/c15-9(3-6-13-7-4-11-12-13)14-5-1-2-8(14)10(16)17/h4,7-8H,1-3,5-6H2,(H,16,17)
InChIKeyDSWAEHOVJRDEEY-UHFFFAOYSA-N
XLogP-0.26
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 ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid
CID 28789916
1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119355394
1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 79024004
1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63006196
1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 43417117
1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride
CID 119377867
1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 43556263
1-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(triazol-1-yl)propan-1-one
CID 43594543
(2S)-1-[3-(4-sulfamoylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365828
(2R)-1-(3-phenothiazin-10-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 119371996
(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 15384175
4-[2-(triazol-1-yl)acetyl]thiomorpholine-3-carboxylic acid
CID 82900486

Frequently Asked Questions

What is the IUPAC name of 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid (CID 43211077) is 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)CCn1ccnn1.
What is the InChIKey of 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is DSWAEHOVJRDEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-9(3-6-13-7-4-11-12-13)14-5-1-2-8(14)10(16)17/h4,7-8H,1-3,5-6H2,(H,16,17).
What are the key properties of 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of -0.26, 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-2-carboxylic acid is sourced from PubChem (CID 43211077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).