(2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid

C11H15NO3 — CID 168683792

IUPAC(2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid
SMILESC=CC1CC(=O)N([C@H](C(=O)O)C2CC2)C1
InChIInChI=1S/C11H15NO3/c1-2-7-5-9(13)12(6-7)10(11(14)15)8-3-4-8/h2,7-8,10H,1,3-6H2,(H,14,15)/t7?,10-/m0/s1
InChIKeyYIIHNDUDISLUMJ-MHPPCMCBSA-N
MW209.24 g/mol
LogP0.88
Rot. Bonds4

About (2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid

(2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid (PubChem CID 168683792) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid
PubChem CID168683792
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid
SMILESC=CC1CC(=O)N([C@H](C(=O)O)C2CC2)C1
InChIInChI=1S/C11H15NO3/c1-2-7-5-9(13)12(6-7)10(11(14)15)8-3-4-8/h2,7-8,10H,1,3-6H2,(H,14,15)/t7?,10-/m0/s1
InChIKeyYIIHNDUDISLUMJ-MHPPCMCBSA-N
XLogP0.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.88
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

3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168683709
(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid
CID 168683478
2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661742
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-cyclopentylacetic acid
CID 168506710
5-(diaminomethylideneamino)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168683729
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid
CID 168683679
1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one
CID 168683667
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid
CID 168683746
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168683655
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid
CID 168695813
(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid
CID 168683828
(2S)-3-(3-bromophenyl)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168683824

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid?
The IUPAC name of (2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid (CID 168683792) is (2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid.
What is the SMILES notation for (2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid?
The canonical SMILES for (2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid is C=CC1CC(=O)N([C@H](C(=O)O)C2CC2)C1.
What is the InChIKey of (2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid?
The InChIKey is YIIHNDUDISLUMJ-MHPPCMCBSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-7-5-9(13)12(6-7)10(11(14)15)8-3-4-8/h2,7-8,10H,1,3-6H2,(H,14,15)/t7?,10-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid?
(2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid has a molecular weight of 209.24 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 168683792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).