2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride

C11H21ClN2O2 — CID 119791443

IUPAC2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride
SMILESCO[C@H]1CCN(C(=O)CNCC2CC2)C1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-15-10-4-5-13(8-10)11(14)7-12-6-9-2-3-9;/h9-10,12H,2-8H2,1H3;1H/t10-;/m0./s1
InChIKeyHFGSMGDGANSHNU-PPHPATTJSA-N
MW248.75 g/mol
LogP0.66
Rot. Bonds5

About 2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride

2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride (PubChem CID 119791443) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride
PubChem CID119791443
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride
SMILESCO[C@H]1CCN(C(=O)CNCC2CC2)C1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-15-10-4-5-13(8-10)11(14)7-12-6-9-2-3-9;/h9-10,12H,2-8H2,1H3;1H/t10-;/m0./s1
InChIKeyHFGSMGDGANSHNU-PPHPATTJSA-N
XLogP0.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride
CID 119697100
2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119821813
1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone
CID 83628524
2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856
2-(cyclopropylmethylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61217045
2-(cyclopropylmethylamino)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119781761
2-(cyclopropylmethylamino)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
CID 119743037
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 54990051
N-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119793534
1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 102957641

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride (CID 119791443) is 2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride is CO[C@H]1CCN(C(=O)CNCC2CC2)C1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride?
The InChIKey is HFGSMGDGANSHNU-PPHPATTJSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c1-15-10-4-5-13(8-10)11(14)7-12-6-9-2-3-9;/h9-10,12H,2-8H2,1H3;1H/t10-;/m0./s1.
What are the key properties of 2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride?
2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119791443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).