(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid

C14H16N2O3 — CID 168683828

IUPAC(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid
SMILESC=CC1CC(=O)N([C@@H](Cc2ccccn2)C(=O)O)C1
InChIInChI=1S/C14H16N2O3/c1-2-10-7-13(17)16(9-10)12(14(18)19)8-11-5-3-4-6-15-11/h2-6,10,12H,1,7-9H2,(H,18,19)/t10?,12-/m0/s1
InChIKeyTUMZVKQBSGJITM-KFJBMODSSA-N
MW260.29 g/mol
LogP1.11
Rot. Bonds5

About (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid

(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid (PubChem CID 168683828) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid
PubChem CID168683828
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid
SMILESC=CC1CC(=O)N([C@@H](Cc2ccccn2)C(=O)O)C1
InChIInChI=1S/C14H16N2O3/c1-2-10-7-13(17)16(9-10)12(14(18)19)8-11-5-3-4-6-15-11/h2-6,10,12H,1,7-9H2,(H,18,19)/t10?,12-/m0/s1
InChIKeyTUMZVKQBSGJITM-KFJBMODSSA-N
XLogP1.11
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid
CID 168683746
(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid
CID 168683478
(2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168683792
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
4-ethenyl-1-pyrimidin-2-ylpyrrolidin-2-one
CID 168686694
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid
CID 168658961
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168683655
4-ethenyl-1-(2-imidazol-1-yl-1-phenylethyl)pyrrolidin-2-one
CID 168683756
3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168683709
4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168683636
4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 168686329
1-[(1S)-1-carboxy-2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690375

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid?
The IUPAC name of (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid (CID 168683828) is (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid?
The canonical SMILES for (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid is C=CC1CC(=O)N([C@@H](Cc2ccccn2)C(=O)O)C1.
What is the InChIKey of (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid?
The InChIKey is TUMZVKQBSGJITM-KFJBMODSSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-10-7-13(17)16(9-10)12(14(18)19)8-11-5-3-4-6-15-11/h2-6,10,12H,1,7-9H2,(H,18,19)/t10?,12-/m0/s1.
What are the key properties of (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid?
(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid has a molecular weight of 260.29 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 168683828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).