methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate

C14H17BrN2O3 — CID 62025955

IUPACmethyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H17BrN2O3/c1-20-14(19)12-7-4-8-17(12)9-13(18)16-11-6-3-2-5-10(11)15/h2-3,5-6,12H,4,7-9H2,1H3,(H,16,18)
InChIKeyOWGYKHQIZHTWJJ-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.03
Rot. Bonds4

About methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate

methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 62025955) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID62025955
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Namemethyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H17BrN2O3/c1-20-14(19)12-7-4-8-17(12)9-13(18)16-11-6-3-2-5-10(11)15/h2-3,5-6,12H,4,7-9H2,1H3,(H,16,18)
InChIKeyOWGYKHQIZHTWJJ-UHFFFAOYSA-N
XLogP2.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62025965
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-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 60597140
2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61370730
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027861
1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441726
methyl 2-[(2-bromophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754602
methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate
CID 79833485
methyl 1-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]pyrrolidine-2-carboxylate
CID 75371683
N-(2-methoxyphenyl)-2-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 156608240
N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 47810584
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate (CID 62025955) is methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1CC(=O)Nc1ccccc1Br.
What is the InChIKey of methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is OWGYKHQIZHTWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-20-14(19)12-7-4-8-17(12)9-13(18)16-11-6-3-2-5-10(11)15/h2-3,5-6,12H,4,7-9H2,1H3,(H,16,18).
What are the key properties of methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 341.21 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62025955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).