2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid

C14H17BrN2O3 — CID 61370730

IUPAC2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1CC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H17BrN2O3/c15-11-5-1-2-6-12(11)16-13(18)9-17-7-3-4-10(17)8-14(19)20/h1-2,5-6,10H,3-4,7-9H2,(H,16,18)(H,19,20)
InChIKeyUIBKHZBUKDAUFO-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.33
Rot. Bonds5

About 2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61370730) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
PubChem CID61370730
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1CC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H17BrN2O3/c15-11-5-1-2-6-12(11)16-13(18)9-17-7-3-4-10(17)8-14(19)20/h1-2,5-6,10H,3-4,7-9H2,(H,16,18)(H,19,20)
InChIKeyUIBKHZBUKDAUFO-UHFFFAOYSA-N
XLogP2.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 47810584
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2-bromophenyl)acetamide
CID 11931200
methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62025955
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61010278
2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61009845
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 62046547
N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942430
N-(2-acetylphenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 63297555
2-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61371894
2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61010407
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490988

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid (CID 61370730) is 2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1CC(=O)Nc1ccccc1Br.
What is the InChIKey of 2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is UIBKHZBUKDAUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c15-11-5-1-2-6-12(11)16-13(18)9-17-7-3-4-10(17)8-14(19)20/h1-2,5-6,10H,3-4,7-9H2,(H,16,18)(H,19,20).
What are the key properties of 2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 341.21 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).