2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid

C14H20N2O3 — CID 79324945

IUPAC2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCCCCN(C(=O)c1cccn1CC(=O)O)C1CC1
InChIInChI=1S/C14H20N2O3/c1-2-3-9-16(11-6-7-11)14(19)12-5-4-8-15(12)10-13(17)18/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,17,18)
InChIKeyRPMMDWBAQNCCIW-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.98
Rot. Bonds7

About 2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid

2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 79324945) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid
PubChem CID79324945
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCCCCN(C(=O)c1cccn1CC(=O)O)C1CC1
InChIInChI=1S/C14H20N2O3/c1-2-3-9-16(11-6-7-11)14(19)12-5-4-8-15(12)10-13(17)18/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,17,18)
InChIKeyRPMMDWBAQNCCIW-UHFFFAOYSA-N
XLogP1.98
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325086
2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324864
N-piperidin-4-yl-N,1-dipropylpyrrole-2-carboxamide
CID 60807268
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-N-propylpyrrole-2-carboxamide
CID 61232091
2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325083
4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide
CID 61107485
2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325234
2-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]pyrrol-1-yl]acetic acid
CID 79332055
1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 102866003
N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610258
2-[2-(4-propylazepane-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79322507
N-butyl-N-cyclopropyl-3-hydroxypyridine-2-carboxamide
CID 61443052

Frequently Asked Questions

What is the IUPAC name of 2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid (CID 79324945) is 2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid is CCCCN(C(=O)c1cccn1CC(=O)O)C1CC1.
What is the InChIKey of 2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is RPMMDWBAQNCCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-3-9-16(11-6-7-11)14(19)12-5-4-8-15(12)10-13(17)18/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of 2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79324945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).