3-(cyclopent-3-ene-1-carbonylamino)-3-methylbutanoic acid

C11H17NO3 — CID 64767006

IUPAC3-(cyclopent-3-ene-1-carbonylamino)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)C1CC=CC1
InChIInChI=1S/C11H17NO3/c1-11(2,7-9(13)14)12-10(15)8-5-3-4-6-8/h3-4,8H,5-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyHUXXQYKXTJELKI-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.32
Rot. Bonds4

About 3-(cyclopent-3-ene-1-carbonylamino)-3-methylbutanoic acid

3-(cyclopent-3-ene-1-carbonylamino)-3-methylbutanoic acid (PubChem CID 64767006) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(cyclopent-3-ene-1-carbonylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(cyclopent-3-ene-1-carbonylamino)-3-methylbutanoic acid
PubChem CID64767006
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-(cyclopent-3-ene-1-carbonylamino)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)C1CC=CC1
InChIInChI=1S/C11H17NO3/c1-11(2,7-9(13)14)12-10(15)8-5-3-4-6-8/h3-4,8H,5-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyHUXXQYKXTJELKI-UHFFFAOYSA-N
XLogP1.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopent-3-ene-1-carbonylamino)-3-methylbutanoic acid?
The IUPAC name of 3-(cyclopent-3-ene-1-carbonylamino)-3-methylbutanoic acid (CID 64767006) is 3-(cyclopent-3-ene-1-carbonylamino)-3-methylbutanoic acid.
What is the SMILES notation for 3-(cyclopent-3-ene-1-carbonylamino)-3-methylbutanoic acid?
The canonical SMILES for 3-(cyclopent-3-ene-1-carbonylamino)-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)C1CC=CC1.
What is the InChIKey of 3-(cyclopent-3-ene-1-carbonylamino)-3-methylbutanoic acid?
The InChIKey is HUXXQYKXTJELKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(2,7-9(13)14)12-10(15)8-5-3-4-6-8/h3-4,8H,5-7H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 3-(cyclopent-3-ene-1-carbonylamino)-3-methylbutanoic acid?
3-(cyclopent-3-ene-1-carbonylamino)-3-methylbutanoic acid has a molecular weight of 211.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopent-3-ene-1-carbonylamino)-3-methylbutanoic acid is sourced from PubChem (CID 64767006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).