2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one

C13H24N2O2 — CID 81088765

IUPAC2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CCCC1C1CCCC1
InChIInChI=1S/C13H24N2O2/c1-17-9-11(14)13(16)15-8-4-7-12(15)10-5-2-3-6-10/h10-12H,2-9,14H2,1H3
InChIKeyKOKZHGCDEPSRMY-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.14
Rot. Bonds4

About 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one

2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one (PubChem CID 81088765) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one
PubChem CID81088765
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CCCC1C1CCCC1
InChIInChI=1S/C13H24N2O2/c1-17-9-11(14)13(16)15-8-4-7-12(15)10-5-2-3-6-10/h10-12H,2-9,14H2,1H3
InChIKeyKOKZHGCDEPSRMY-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-5-methoxypentan-1-one
CID 81089538
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-aminopentan-1-one
CID 102726243
(2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 119300932
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl)-2-amino-3-methoxypropan-1-one;hydrochloride
CID 120992044
(2S,3S)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-3-methylpentan-1-one
CID 102726137
1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide
CID 81081543
(2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-4-methylsulfanylbutan-1-one
CID 104907803
2-amino-1-(2-cyclopropylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 130978633
(2R)-2-cyclopentyl-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide
CID 96559192
(2R)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-4-methylsulfanylbutan-1-one
CID 104908618
(2S)-1-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-2-aminobutan-1-one
CID 131107402
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-aminopentan-1-one;hydrochloride
CID 120559170

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one (CID 81088765) is 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one is COCC(N)C(=O)N1CCCC1C1CCCC1.
What is the InChIKey of 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one?
The InChIKey is KOKZHGCDEPSRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-17-9-11(14)13(16)15-8-4-7-12(15)10-5-2-3-6-10/h10-12H,2-9,14H2,1H3.
What are the key properties of 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one?
2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one is sourced from PubChem (CID 81088765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).