2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid

C13H15BrN2O3 — CID 61369992

IUPAC2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H15BrN2O3/c14-9-3-1-4-10(7-9)15-13(19)16-6-2-5-11(16)8-12(17)18/h1,3-4,7,11H,2,5-6,8H2,(H,15,19)(H,17,18)
InChIKeyFFQJFPWHQUIZIB-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.92
Rot. Bonds3

About 2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61369992) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID61369992
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H15BrN2O3/c14-9-3-1-4-10(7-9)15-13(19)16-6-2-5-11(16)8-12(17)18/h1,3-4,7,11H,2,5-6,8H2,(H,15,19)(H,17,18)
InChIKeyFFQJFPWHQUIZIB-UHFFFAOYSA-N
XLogP2.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61010111
1-[(3-bromophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61191507
2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61476008
2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61189756
2-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61181332
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
2-[1-[(2-bromo-4-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61372529
2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 114840396
2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371172
2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61194799
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
2-[1-[[4-(cyanomethyl)phenyl]carbamoyl]pyrrolidin-2-yl]acetic acid
CID 62302370

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid (CID 61369992) is 2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is FFQJFPWHQUIZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-9-3-1-4-10(7-9)15-13(19)16-6-2-5-11(16)8-12(17)18/h1,3-4,7,11H,2,5-6,8H2,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 327.18 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61369992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).