(2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate

C14H16BrNO4 — CID 95631856

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate
SMILESO=C(OCC(=O)N1CCCC1)[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrNO4/c15-11-5-3-10(4-6-11)13(18)14(19)20-9-12(17)16-7-1-2-8-16/h3-6,13,18H,1-2,7-9H2/t13-/m0/s1
InChIKeyXJHPSOJVECBYIA-ZDUSSCGKSA-N
MW342.19 g/mol
LogP1.65
Rot. Bonds4

About (2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate

(2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate (PubChem CID 95631856) has the molecular formula C14H16BrNO4 and a molecular weight of 342.19 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate
PubChem CID95631856
Molecular FormulaC14H16BrNO4
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate
SMILESO=C(OCC(=O)N1CCCC1)[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrNO4/c15-11-5-3-10(4-6-11)13(18)14(19)20-9-12(17)16-7-1-2-8-16/h3-6,13,18H,1-2,7-9H2/t13-/m0/s1
InChIKeyXJHPSOJVECBYIA-ZDUSSCGKSA-N
XLogP1.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-oxo-2-pyrrolidin-1-ylethyl) 2-bromo-2-(4-propan-2-ylphenyl)acetate
CID 142162768
(2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoate
CID 8880017
ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 94376499
2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone
CID 60674178
2-(4-bromophenoxy)-1-[4-[2-(4-bromophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 4961230
(2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate
CID 106592536
[2-(azepan-1-yl)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 23935201
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 78932602
[2-(azepan-1-yl)-2-oxoethyl] 3-bromobenzoate
CID 23990780
1-(azepan-1-yl)-2-[5-bromo-2-(1-hydroxyethyl)phenoxy]ethanone
CID 102948266
2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylethanone
CID 63365992
3-(4-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 60751054

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate (CID 95631856) is (2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate is O=C(OCC(=O)N1CCCC1)[C@@H](O)c1ccc(Br)cc1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate?
The InChIKey is XJHPSOJVECBYIA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16BrNO4/c15-11-5-3-10(4-6-11)13(18)14(19)20-9-12(17)16-7-1-2-8-16/h3-6,13,18H,1-2,7-9H2/t13-/m0/s1.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate?
(2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate has a molecular weight of 342.19 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate is sourced from PubChem (CID 95631856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).