2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid

C16H17BrN2O4 — CID 124703151

IUPAC2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C1CC1
InChIInChI=1S/C16H17BrN2O4/c17-12-3-1-2-4-13(12)18-8-7-11(15(18)22)16(23)19(9-14(20)21)10-5-6-10/h1-4,10-11H,5-9H2,(H,20,21)/t11-/m0/s1
InChIKeyIEULOHXSERDLHB-NSHDSACASA-N
MW381.23 g/mol
LogP1.88
Rot. Bonds5

About 2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid

2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid (PubChem CID 124703151) has the molecular formula C16H17BrN2O4 and a molecular weight of 381.23 g/mol. Its IUPAC name is 2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid
PubChem CID124703151
Molecular FormulaC16H17BrN2O4
Molecular Weight381.23 g/mol
Exact Mass380.04
IUPAC Name2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C1CC1
InChIInChI=1S/C16H17BrN2O4/c17-12-3-1-2-4-13(12)18-8-7-11(15(18)22)16(23)19(9-14(20)21)10-5-6-10/h1-4,10-11H,5-9H2,(H,20,21)/t11-/m0/s1
InChIKeyIEULOHXSERDLHB-NSHDSACASA-N
XLogP1.88
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid 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

(2R)-2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 125120843
(2S)-2-[[(3S)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 125120844
3-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119177355
(3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 94010469
1-(2-bromophenyl)-N-methyl-N-(1-methylsulfinylpropan-2-yl)-2-oxopyrrolidine-3-carboxamide
CID 75455510
1-[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355870
(3S)-1-(2-bromophenyl)-3-propanoylpiperidin-2-one
CID 125449248
2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119225559
1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide
CID 112834405
1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
CID 71893622
(2R)-2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119368549
(2R)-2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363528

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid (CID 124703151) is 2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C1CC1.
What is the InChIKey of 2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid?
The InChIKey is IEULOHXSERDLHB-NSHDSACASA-N. The full InChI is InChI=1S/C16H17BrN2O4/c17-12-3-1-2-4-13(12)18-8-7-11(15(18)22)16(23)19(9-14(20)21)10-5-6-10/h1-4,10-11H,5-9H2,(H,20,21)/t11-/m0/s1.
What are the key properties of 2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid?
2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid has a molecular weight of 381.23 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 124703151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).