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

C11H16N4O4 — CID 43211299

IUPAC4-methoxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)CCn2ccnn2)C1
InChIInChI=1S/C11H16N4O4/c1-19-8-6-9(11(17)18)15(7-8)10(16)2-4-14-5-3-12-13-14/h3,5,8-9H,2,4,6-7H2,1H3,(H,17,18)
InChIKeyNWVDYZHYZVDZJB-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.63
Rot. Bonds5

About 4-methoxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid

4-methoxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 43211299) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-methoxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID43211299
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name4-methoxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)CCn2ccnn2)C1
InChIInChI=1S/C11H16N4O4/c1-19-8-6-9(11(17)18)15(7-8)10(16)2-4-14-5-3-12-13-14/h3,5,8-9H,2,4,6-7H2,1H3,(H,17,18)
InChIKeyNWVDYZHYZVDZJB-UHFFFAOYSA-N
XLogP-0.63
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2S,4R)-1-[(tert-butoxy)carbonyl]-4-(1H-1,2,3-triazol-1-yl)pyrrolidine-2-carboxylic acid
CID 177799796
1-O-tert-butyl 2-O-methyl (2S)-4-(triazol-1-yl)pyrrolidine-1,2-dicarboxylate
CID 146206033
(2S)-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 28789636
(2R)-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 28789638
(2S,4R)-4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 28790156
(2S,4S)-4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 28790158
(2R,4R)-4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 28790160
1-[3-(Triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43211077
4-Hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43211141
Methyl 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylate
CID 43423353
Ethyl 1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylate
CID 55006206
(2S)-4-hydroxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61153800

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid (CID 43211299) is 4-methoxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)CCn2ccnn2)C1.
What is the InChIKey of 4-methoxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NWVDYZHYZVDZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-19-8-6-9(11(17)18)15(7-8)10(16)2-4-14-5-3-12-13-14/h3,5,8-9H,2,4,6-7H2,1H3,(H,17,18).
What are the key properties of 4-methoxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
4-methoxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of -0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43211299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).