3-[1-[2-(dipropylamino)-2-oxoethyl]-5-methyltriazol-4-yl]propanoic acid

C14H24N4O3 — CID 82202781

IUPAC3-[1-[2-(dipropylamino)-2-oxoethyl]-5-methyltriazol-4-yl]propanoic acid
SMILESCCCN(CCC)C(=O)Cn1nnc(CCC(=O)O)c1C
InChIInChI=1S/C14H24N4O3/c1-4-8-17(9-5-2)13(19)10-18-11(3)12(15-16-18)6-7-14(20)21/h4-10H2,1-3H3,(H,20,21)
InChIKeyMNGUMUIXKNYBTO-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.25
Rot. Bonds9

About 3-[1-[2-(dipropylamino)-2-oxoethyl]-5-methyltriazol-4-yl]propanoic acid

3-[1-[2-(dipropylamino)-2-oxoethyl]-5-methyltriazol-4-yl]propanoic acid (PubChem CID 82202781) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[1-[2-(dipropylamino)-2-oxoethyl]-5-methyltriazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(dipropylamino)-2-oxoethyl]-5-methyltriazol-4-yl]propanoic acid
PubChem CID82202781
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name3-[1-[2-(dipropylamino)-2-oxoethyl]-5-methyltriazol-4-yl]propanoic acid
SMILESCCCN(CCC)C(=O)Cn1nnc(CCC(=O)O)c1C
InChIInChI=1S/C14H24N4O3/c1-4-8-17(9-5-2)13(19)10-18-11(3)12(15-16-18)6-7-14(20)21/h4-10H2,1-3H3,(H,20,21)
InChIKeyMNGUMUIXKNYBTO-UHFFFAOYSA-N
XLogP1.25
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[2-(dipropylamino)-2-oxoethyl]-5-methyltriazol-4-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(dipropylamino)-2-oxoethyl]-5-methyltriazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(dipropylamino)-2-oxoethyl]-5-methyltriazol-4-yl]propanoic acid (CID 82202781) is 3-[1-[2-(dipropylamino)-2-oxoethyl]-5-methyltriazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(dipropylamino)-2-oxoethyl]-5-methyltriazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(dipropylamino)-2-oxoethyl]-5-methyltriazol-4-yl]propanoic acid is CCCN(CCC)C(=O)Cn1nnc(CCC(=O)O)c1C.
What is the InChIKey of 3-[1-[2-(dipropylamino)-2-oxoethyl]-5-methyltriazol-4-yl]propanoic acid?
The InChIKey is MNGUMUIXKNYBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-4-8-17(9-5-2)13(19)10-18-11(3)12(15-16-18)6-7-14(20)21/h4-10H2,1-3H3,(H,20,21).
What are the key properties of 3-[1-[2-(dipropylamino)-2-oxoethyl]-5-methyltriazol-4-yl]propanoic acid?
3-[1-[2-(dipropylamino)-2-oxoethyl]-5-methyltriazol-4-yl]propanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(dipropylamino)-2-oxoethyl]-5-methyltriazol-4-yl]propanoic acid is sourced from PubChem (CID 82202781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).