2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid

C15H24N2O3 — CID 86779618

IUPAC2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cc(C)n(C(C)C)c1C
InChIInChI=1S/C15H24N2O3/c1-6-7-16(9-14(18)19)15(20)13-8-11(4)17(10(2)3)12(13)5/h8,10H,6-7,9H2,1-5H3,(H,18,19)
InChIKeyBZFVHLMCOVILNM-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.62
Rot. Bonds6

About 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid

2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid (PubChem CID 86779618) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid
PubChem CID86779618
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cc(C)n(C(C)C)c1C
InChIInChI=1S/C15H24N2O3/c1-6-7-16(9-14(18)19)15(20)13-8-11(4)17(10(2)3)12(13)5/h8,10H,6-7,9H2,1-5H3,(H,18,19)
InChIKeyBZFVHLMCOVILNM-UHFFFAOYSA-N
XLogP2.62
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid (CID 86779618) is 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1cc(C)n(C(C)C)c1C.
What is the InChIKey of 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid?
The InChIKey is BZFVHLMCOVILNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-6-7-16(9-14(18)19)15(20)13-8-11(4)17(10(2)3)12(13)5/h8,10H,6-7,9H2,1-5H3,(H,18,19).
What are the key properties of 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid?
2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 86779618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).