2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid

C15H17BrN2O4 — CID 119187504

IUPAC2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)C1CC(=O)N(c2ccccc2Br)C1)C(=O)O
InChIInChI=1S/C15H17BrN2O4/c1-15(2,14(21)22)17-13(20)9-7-12(19)18(8-9)11-6-4-3-5-10(11)16/h3-6,9H,7-8H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyVVIXOBYQRLEPJD-UHFFFAOYSA-N
MW369.22 g/mol
LogP1.78
Rot. Bonds4

About 2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid

2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 119187504) has the molecular formula C15H17BrN2O4 and a molecular weight of 369.22 g/mol. Its IUPAC name is 2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
PubChem CID119187504
Molecular FormulaC15H17BrN2O4
Molecular Weight369.22 g/mol
Exact Mass368.04
IUPAC Name2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)C1CC(=O)N(c2ccccc2Br)C1)C(=O)O
InChIInChI=1S/C15H17BrN2O4/c1-15(2,14(21)22)17-13(20)9-7-12(19)18(8-9)11-6-4-3-5-10(11)16/h3-6,9H,7-8H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyVVIXOBYQRLEPJD-UHFFFAOYSA-N
XLogP1.78
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
(3S)-1-(2-bromophenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 52570395
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 46671576
1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide
CID 42952999
(2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119362047
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 75493668
1-[[(3R)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 97185380
1-(2-bromophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46583917
methyl 2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 47024004
1-(2-bromophenyl)-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 46584108
(3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 39340628

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid (CID 119187504) is 2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)C1CC(=O)N(c2ccccc2Br)C1)C(=O)O.
What is the InChIKey of 2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is VVIXOBYQRLEPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O4/c1-15(2,14(21)22)17-13(20)9-7-12(19)18(8-9)11-6-4-3-5-10(11)16/h3-6,9H,7-8H2,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid?
2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 369.22 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 119187504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).