3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid

C11H17N3O2 — CID 61362973

IUPAC3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid
SMILESCc1nnc(CCC(=O)O)n1C1CCCC1
InChIInChI=1S/C11H17N3O2/c1-8-12-13-10(6-7-11(15)16)14(8)9-4-2-3-5-9/h9H,2-7H2,1H3,(H,15,16)
InChIKeyFBAPKSQAEWAGKP-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.72
Rot. Bonds4

About 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid

3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid (PubChem CID 61362973) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid
PubChem CID61362973
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid
SMILESCc1nnc(CCC(=O)O)n1C1CCCC1
InChIInChI=1S/C11H17N3O2/c1-8-12-13-10(6-7-11(15)16)14(8)9-4-2-3-5-9/h9H,2-7H2,1H3,(H,15,16)
InChIKeyFBAPKSQAEWAGKP-UHFFFAOYSA-N
XLogP1.72
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid?
The IUPAC name of 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid (CID 61362973) is 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid?
The canonical SMILES for 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid is Cc1nnc(CCC(=O)O)n1C1CCCC1.
What is the InChIKey of 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid?
The InChIKey is FBAPKSQAEWAGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-12-13-10(6-7-11(15)16)14(8)9-4-2-3-5-9/h9H,2-7H2,1H3,(H,15,16).
What are the key properties of 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid?
3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid has a molecular weight of 223.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid is sourced from PubChem (CID 61362973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).