3-cyclopropyl-3-(2,5-dihydropyrrol-1-yl)propanoic acid

C10H15NO2 — CID 82002613

IUPAC3-cyclopropyl-3-(2,5-dihydropyrrol-1-yl)propanoic acid
SMILESO=C(O)CC(C1CC1)N1CC=CC1
InChIInChI=1S/C10H15NO2/c12-10(13)7-9(8-3-4-8)11-5-1-2-6-11/h1-2,8-9H,3-7H2,(H,12,13)
InChIKeyHUYRWFROCVJNBZ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.11
Rot. Bonds4

About 3-cyclopropyl-3-(2,5-dihydropyrrol-1-yl)propanoic acid

3-cyclopropyl-3-(2,5-dihydropyrrol-1-yl)propanoic acid (PubChem CID 82002613) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-cyclopropyl-3-(2,5-dihydropyrrol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(2,5-dihydropyrrol-1-yl)propanoic acid
PubChem CID82002613
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-cyclopropyl-3-(2,5-dihydropyrrol-1-yl)propanoic acid
SMILESO=C(O)CC(C1CC1)N1CC=CC1
InChIInChI=1S/C10H15NO2/c12-10(13)7-9(8-3-4-8)11-5-1-2-6-11/h1-2,8-9H,3-7H2,(H,12,13)
InChIKeyHUYRWFROCVJNBZ-UHFFFAOYSA-N
XLogP1.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
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-cyclopropyl-3-(2,5-dihydropyrrol-1-yl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(2,5-dihydropyrrol-1-yl)propanoic acid (CID 82002613) is 3-cyclopropyl-3-(2,5-dihydropyrrol-1-yl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(2,5-dihydropyrrol-1-yl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(2,5-dihydropyrrol-1-yl)propanoic acid is O=C(O)CC(C1CC1)N1CC=CC1.
What is the InChIKey of 3-cyclopropyl-3-(2,5-dihydropyrrol-1-yl)propanoic acid?
The InChIKey is HUYRWFROCVJNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10(13)7-9(8-3-4-8)11-5-1-2-6-11/h1-2,8-9H,3-7H2,(H,12,13).
What are the key properties of 3-cyclopropyl-3-(2,5-dihydropyrrol-1-yl)propanoic acid?
3-cyclopropyl-3-(2,5-dihydropyrrol-1-yl)propanoic acid has a molecular weight of 181.23 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(2,5-dihydropyrrol-1-yl)propanoic acid is sourced from PubChem (CID 82002613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).