2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one

C11H22N2O2 — CID 62472697

IUPAC2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one
SMILESCCC1CCCN1C(=O)C(N)CCOC
InChIInChI=1S/C11H22N2O2/c1-3-9-5-4-7-13(9)11(14)10(12)6-8-15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyURYRTQKRUDSGEF-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds5

About 2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one

2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one (PubChem CID 62472697) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one
PubChem CID62472697
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one
SMILESCCC1CCCN1C(=O)C(N)CCOC
InChIInChI=1S/C11H22N2O2/c1-3-9-5-4-7-13(9)11(14)10(12)6-8-15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyURYRTQKRUDSGEF-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217915
2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 61165353
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 104903172
1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide
CID 62473351
2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119261722
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 81088440
2-amino-1-(2-ethylazepan-1-yl)butan-1-one
CID 115734570
(2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one
CID 103832803
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 79012804
3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid
CID 81088985
2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 62474297

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one?
The IUPAC name of 2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one (CID 62472697) is 2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one.
What is the SMILES notation for 2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one?
The canonical SMILES for 2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one is CCC1CCCN1C(=O)C(N)CCOC.
What is the InChIKey of 2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one?
The InChIKey is URYRTQKRUDSGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-9-5-4-7-13(9)11(14)10(12)6-8-15-2/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one?
2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one is sourced from PubChem (CID 62472697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).