2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid

C16H17BrN2O4 — CID 119194539

IUPAC2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)C1CC(=O)N(c2cccc(Br)c2)C1)C1CC1
InChIInChI=1S/C16H17BrN2O4/c17-11-2-1-3-13(7-11)18-8-10(6-14(18)20)16(23)19(9-15(21)22)12-4-5-12/h1-3,7,10,12H,4-6,8-9H2,(H,21,22)
InChIKeyLNYKLWUGXFIKTH-UHFFFAOYSA-N
MW381.23 g/mol
LogP1.88
Rot. Bonds5

About 2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid

2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid (PubChem CID 119194539) has the molecular formula C16H17BrN2O4 and a molecular weight of 381.23 g/mol. Its IUPAC name is 2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid
PubChem CID119194539
Molecular FormulaC16H17BrN2O4
Molecular Weight381.23 g/mol
Exact Mass380.04
IUPAC Name2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)C1CC(=O)N(c2cccc(Br)c2)C1)C1CC1
InChIInChI=1S/C16H17BrN2O4/c17-11-2-1-3-13(7-11)18-8-10(6-14(18)20)16(23)19(9-15(21)22)12-4-5-12/h1-3,7,10,12H,4-6,8-9H2,(H,21,22)
InChIKeyLNYKLWUGXFIKTH-UHFFFAOYSA-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

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Related Compounds

1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 42953091
1-(3-bromophenyl)-N-(oxan-4-yl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 90610938
1-(3-bromophenyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55675481
N-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119656166
2-[[(3S)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 125150470
1-(3-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 42952777
2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
CID 54946145
1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55664552
1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 84503378
1-(3-bromophenyl)-N-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxamide
CID 119037342
1-(3-bromophenyl)-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 46581216
1-[[(3S)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700111

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid (CID 119194539) is 2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)C1CC(=O)N(c2cccc(Br)c2)C1)C1CC1.
What is the InChIKey of 2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid?
The InChIKey is LNYKLWUGXFIKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4/c17-11-2-1-3-13(7-11)18-8-10(6-14(18)20)16(23)19(9-15(21)22)12-4-5-12/h1-3,7,10,12H,4-6,8-9H2,(H,21,22).
What are the key properties of 2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid?
2-[[1-(3-bromophenyl)-5-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-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 119194539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).