1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid

C15H16BrNO4 — CID 43357045

IUPAC1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H16BrNO4/c16-10-3-1-9(2-4-10)15(5-6-15)14(21)17-8-11(18)7-12(17)13(19)20/h1-4,11-12,18H,5-8H2,(H,19,20)
InChIKeyGHIJPMGQNGLBKO-UHFFFAOYSA-N
MW354.20 g/mol
LogP1.53
Rot. Bonds3

About 1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 43357045) has the molecular formula C15H16BrNO4 and a molecular weight of 354.20 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID43357045
Molecular FormulaC15H16BrNO4
Molecular Weight354.20 g/mol
Exact Mass353.03
IUPAC Name1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H16BrNO4/c16-10-3-1-9(2-4-10)15(5-6-15)14(21)17-8-11(18)7-12(17)13(19)20/h1-4,11-12,18H,5-8H2,(H,19,20)
InChIKeyGHIJPMGQNGLBKO-UHFFFAOYSA-N
XLogP1.53
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 43357045) is 1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is GHIJPMGQNGLBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO4/c16-10-3-1-9(2-4-10)15(5-6-15)14(21)17-8-11(18)7-12(17)13(19)20/h1-4,11-12,18H,5-8H2,(H,19,20).
What are the key properties of 1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 354.20 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43357045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).