3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid

C12H17NO3 — CID 168683709

IUPAC3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid
SMILESC=CC1CC(=O)N(C(CC(=O)O)C2CC2)C1
InChIInChI=1S/C12H17NO3/c1-2-8-5-11(14)13(7-8)10(6-12(15)16)9-3-4-9/h2,8-10H,1,3-7H2,(H,15,16)
InChIKeyWJLSJAKASBFPHU-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.27
Rot. Bonds5

About 3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid

3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid (PubChem CID 168683709) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid
PubChem CID168683709
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid
SMILESC=CC1CC(=O)N(C(CC(=O)O)C2CC2)C1
InChIInChI=1S/C12H17NO3/c1-2-8-5-11(14)13(7-8)10(6-12(15)16)9-3-4-9/h2,8-10H,1,3-7H2,(H,15,16)
InChIKeyWJLSJAKASBFPHU-UHFFFAOYSA-N
XLogP1.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168683792
3-cyclopropyl-3-(4-ethynyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168500070
(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid
CID 168683478
5-(diaminomethylideneamino)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168683729
1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one
CID 168683667
(2S)-3-(3-bromophenyl)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168683824
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid
CID 168683746
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid
CID 168683679
(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid
CID 168683828
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168683655
1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one
CID 168683630
4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one
CID 168683619

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid (CID 168683709) is 3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid is C=CC1CC(=O)N(C(CC(=O)O)C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid?
The InChIKey is WJLSJAKASBFPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-8-5-11(14)13(7-8)10(6-12(15)16)9-3-4-9/h2,8-10H,1,3-7H2,(H,15,16).
What are the key properties of 3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid?
3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 168683709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).