2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid

C13H14Br2N2O3 — CID 61476008

IUPAC2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C13H14Br2N2O3/c14-8-3-4-11(10(15)6-8)16-13(20)17-5-1-2-9(17)7-12(18)19/h3-4,6,9H,1-2,5,7H2,(H,16,20)(H,18,19)
InChIKeyGMJHTJAJFOOCEE-UHFFFAOYSA-N
MW406.07 g/mol
LogP3.68
Rot. Bonds3

About 2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61476008) has the molecular formula C13H14Br2N2O3 and a molecular weight of 406.07 g/mol. Its IUPAC name is 2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID61476008
Molecular FormulaC13H14Br2N2O3
Molecular Weight406.07 g/mol
Exact Mass403.94
IUPAC Name2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C13H14Br2N2O3/c14-8-3-4-11(10(15)6-8)16-13(20)17-5-1-2-9(17)7-12(18)19/h3-4,6,9H,1-2,5,7H2,(H,16,20)(H,18,19)
InChIKeyGMJHTJAJFOOCEE-UHFFFAOYSA-N
XLogP3.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.07
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-bromo-4-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61372529
2-[1-[(2-bromo-4-cyanophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 107792195
2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61369992
2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 62871728
2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 79760864
2-[1-(5-bromo-2-chlorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370095
2-[1-(4-bromo-2-methylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370883
2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61182627
2-[1-(4-bromo-2-fluorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61371449
2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61190378
2-[1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61191042
(2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide
CID 97070958

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid (CID 61476008) is 2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of 2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is GMJHTJAJFOOCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O3/c14-8-3-4-11(10(15)6-8)16-13(20)17-5-1-2-9(17)7-12(18)19/h3-4,6,9H,1-2,5,7H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 406.07 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61476008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).