2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride

C11H23ClN2O2 — CID 120992499

IUPAC2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride
SMILESCCC1(C)CCN(C(=O)C(N)COC)C1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-4-11(2)5-6-13(8-11)10(14)9(12)7-15-3;/h9H,4-8,12H2,1-3H3;1H
InChIKeyKSPVONQYJYMEPF-UHFFFAOYSA-N
MW250.77 g/mol
LogP1.03
Rot. Bonds4

About 2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride

2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride (PubChem CID 120992499) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride
PubChem CID120992499
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Name2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride
SMILESCCC1(C)CCN(C(=O)C(N)COC)C1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-4-11(2)5-6-13(8-11)10(14)9(12)7-15-3;/h9H,4-8,12H2,1-3H3;1H
InChIKeyKSPVONQYJYMEPF-UHFFFAOYSA-N
XLogP1.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride (CID 120992499) is 2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride is CCC1(C)CCN(C(=O)C(N)COC)C1.Cl.
What is the InChIKey of 2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride?
The InChIKey is KSPVONQYJYMEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-4-11(2)5-6-13(8-11)10(14)9(12)7-15-3;/h9H,4-8,12H2,1-3H3;1H.
What are the key properties of 2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride?
2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride is sourced from PubChem (CID 120992499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).