(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid

C11H15NO3 — CID 168683478

IUPAC(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid
SMILESC=CC[C@@H](C(=O)O)N1CC(C=C)CC1=O
InChIInChI=1S/C11H15NO3/c1-3-5-9(11(14)15)12-7-8(4-2)6-10(12)13/h3-4,8-9H,1-2,5-7H2,(H,14,15)/t8?,9-/m0/s1
InChIKeyUOZIULLDHAJGPG-GKAPJAKFSA-N
MW209.24 g/mol
LogP1.05
Rot. Bonds5

About (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid

(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid (PubChem CID 168683478) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid.

Molecular Properties

Compound Name(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid
PubChem CID168683478
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid
SMILESC=CC[C@@H](C(=O)O)N1CC(C=C)CC1=O
InChIInChI=1S/C11H15NO3/c1-3-5-9(11(14)15)12-7-8(4-2)6-10(12)13/h3-4,8-9H,1-2,5-7H2,(H,14,15)/t8?,9-/m0/s1
InChIKeyUOZIULLDHAJGPG-GKAPJAKFSA-N
XLogP1.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.05
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-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid
CID 168713067
5-(diaminomethylideneamino)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168683729
(2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168683792
2-(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid
CID 168704231
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid
CID 168683746
(2S)-3-(3-bromophenyl)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168683824
(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid
CID 168683828
3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168683709
2-[3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid
CID 69316608
2-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 22387223
(2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 59650078
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168683655

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid?
The IUPAC name of (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid (CID 168683478) is (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid.
What is the SMILES notation for (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid?
The canonical SMILES for (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid is C=CC[C@@H](C(=O)O)N1CC(C=C)CC1=O.
What is the InChIKey of (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid?
The InChIKey is UOZIULLDHAJGPG-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-5-9(11(14)15)12-7-8(4-2)6-10(12)13/h3-4,8-9H,1-2,5-7H2,(H,14,15)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid?
(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid has a molecular weight of 209.24 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid is sourced from PubChem (CID 168683478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).