1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

C14H17BrN2O3 — CID 63721878

IUPAC1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)c2cc(Br)cn2C2CC2)CC1C(=O)O
InChIInChI=1S/C14H17BrN2O3/c1-8-5-16(7-11(8)14(19)20)13(18)12-4-9(15)6-17(12)10-2-3-10/h4,6,8,10-11H,2-3,5,7H2,1H3,(H,19,20)
InChIKeyUXAGWIPBVJPWQJ-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.38
Rot. Bonds3

About 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63721878) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63721878
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)c2cc(Br)cn2C2CC2)CC1C(=O)O
InChIInChI=1S/C14H17BrN2O3/c1-8-5-16(7-11(8)14(19)20)13(18)12-4-9(15)6-17(12)10-2-3-10/h4,6,8,10-11H,2-3,5,7H2,1H3,(H,19,20)
InChIKeyUXAGWIPBVJPWQJ-UHFFFAOYSA-N
XLogP2.38
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid (CID 63721878) is 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)c2cc(Br)cn2C2CC2)CC1C(=O)O.
What is the InChIKey of 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is UXAGWIPBVJPWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-8-5-16(7-11(8)14(19)20)13(18)12-4-9(15)6-17(12)10-2-3-10/h4,6,8,10-11H,2-3,5,7H2,1H3,(H,19,20).
What are the key properties of 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 341.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).