(2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid

C17H21BrN2O4 — CID 119362047

IUPAC(2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)C1CC(=O)N(c2ccccc2Br)C1)C(=O)O
InChIInChI=1S/C17H21BrN2O4/c1-10(2)7-13(17(23)24)19-16(22)11-8-15(21)20(9-11)14-6-4-3-5-12(14)18/h3-6,10-11,13H,7-9H2,1-2H3,(H,19,22)(H,23,24)/t11?,13-/m0/s1
InChIKeyGZQIUVAPILHLSL-YUZLPWPTSA-N
MW397.27 g/mol
LogP2.42
Rot. Bonds6

About (2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid

(2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 119362047) has the molecular formula C17H21BrN2O4 and a molecular weight of 397.27 g/mol. Its IUPAC name is (2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
PubChem CID119362047
Molecular FormulaC17H21BrN2O4
Molecular Weight397.27 g/mol
Exact Mass396.07
IUPAC Name(2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)C1CC(=O)N(c2ccccc2Br)C1)C(=O)O
InChIInChI=1S/C17H21BrN2O4/c1-10(2)7-13(17(23)24)19-16(22)11-8-15(21)20(9-11)14-6-4-3-5-12(14)18/h3-6,10-11,13H,7-9H2,1-2H3,(H,19,22)(H,23,24)/t11?,13-/m0/s1
InChIKeyGZQIUVAPILHLSL-YUZLPWPTSA-N
XLogP2.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2R)-2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363195
1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 46671576
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
(2R)-2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363528
1-(2-bromophenyl)-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 46584108
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
N-(3-amino-2-methylpropyl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119997783
1-(2-ethoxyphenyl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55751598
2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119187504
(3S)-1-(2-bromophenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 52570395
2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119136960
1-(2-bromophenyl)-N-cyclopropyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 55733249

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid (CID 119362047) is (2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid is CC(C)C[C@H](NC(=O)C1CC(=O)N(c2ccccc2Br)C1)C(=O)O.
What is the InChIKey of (2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is GZQIUVAPILHLSL-YUZLPWPTSA-N. The full InChI is InChI=1S/C17H21BrN2O4/c1-10(2)7-13(17(23)24)19-16(22)11-8-15(21)20(9-11)14-6-4-3-5-12(14)18/h3-6,10-11,13H,7-9H2,1-2H3,(H,19,22)(H,23,24)/t11?,13-/m0/s1.
What are the key properties of (2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
(2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 397.27 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119362047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).