3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide

C11H19N3O — CID 106391137

IUPAC3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide
SMILESCC(N)C(C)C(=O)NCCn1cccc1
InChIInChI=1S/C11H19N3O/c1-9(10(2)12)11(15)13-5-8-14-6-3-4-7-14/h3-4,6-7,9-10H,5,8,12H2,1-2H3,(H,13,15)
InChIKeyHPQLTKBOWAKOSJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.59
Rot. Bonds5

About 3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide

3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide (PubChem CID 106391137) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide
PubChem CID106391137
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide
SMILESCC(N)C(C)C(=O)NCCn1cccc1
InChIInChI=1S/C11H19N3O/c1-9(10(2)12)11(15)13-5-8-14-6-3-4-7-14/h3-4,6-7,9-10H,5,8,12H2,1-2H3,(H,13,15)
InChIKeyHPQLTKBOWAKOSJ-UHFFFAOYSA-N
XLogP0.59
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-(1H-pyrrol-1-yl)acetamide
CID 3239634
(2S)-2-(2-oxo-4-pyrrol-1-ylpyrrolidin-1-yl)butanamide
CID 9834598
1-(4-Propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 46343142
1-(4-Ethylpiperazino)-3-(1H-pyrrol-1-YL)-1-propanone
CID 46343155
1-isopropyl-4-({4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl}carbonyl)-2-pyrrolidinone
CID 70713159
1-tert-butyl-4-({4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl}carbonyl)-2-pyrrolidinone
CID 70780485
1-ethyl-5-oxo-N-[2-(1H-pyrrol-1-yl)ethyl]-3-pyrrolidinecarboxamide
CID 71980030
1-cyclohexyl-N-[2-(1H-pyrrol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72839938
1-cyclopentyl-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72869374
1-ethyl-4-({4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl}carbonyl)-2-pyrrolidinone
CID 72891432
1-cyclopentyl-6-oxo-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72909181
1-ethyl-6-oxo-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72936372

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide?
The IUPAC name of 3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide (CID 106391137) is 3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide?
The canonical SMILES for 3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide is CC(N)C(C)C(=O)NCCn1cccc1.
What is the InChIKey of 3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide?
The InChIKey is HPQLTKBOWAKOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(10(2)12)11(15)13-5-8-14-6-3-4-7-14/h3-4,6-7,9-10H,5,8,12H2,1-2H3,(H,13,15).
What are the key properties of 3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide?
3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide has a molecular weight of 209.29 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide is sourced from PubChem (CID 106391137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).