1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one

C11H22N2O3 — CID 106187223

IUPAC1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(C(CO)COC)C1=O
InChIInChI=1S/C11H22N2O3/c1-3-5-12-10-4-6-13(11(10)15)9(7-14)8-16-2/h9-10,12,14H,3-8H2,1-2H3
InChIKeyOROPBWSPZQXODZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.41
Rot. Bonds7

About 1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one

1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one (PubChem CID 106187223) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one
PubChem CID106187223
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(C(CO)COC)C1=O
InChIInChI=1S/C11H22N2O3/c1-3-5-12-10-4-6-13(11(10)15)9(7-14)8-16-2/h9-10,12,14H,3-8H2,1-2H3
InChIKeyOROPBWSPZQXODZ-UHFFFAOYSA-N
XLogP-0.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one
CID 79267296
3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one
CID 106246688
1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one
CID 106357929
1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one
CID 114152228
3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one
CID 62119682
3-(cyclopropylamino)-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-2-one
CID 65313580
1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one
CID 114420361
(2S)-3-methoxy-2-[(3S)-3-(methoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid
CID 58677319
3-(ethylamino)-1-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrrolidin-2-one
CID 106357935
1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one
CID 64641741
3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one
CID 114100312
1-(3,3-dimethylcyclopentyl)-3-(propylamino)pyrrolidin-2-one
CID 114541375

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one?
The IUPAC name of 1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one (CID 106187223) is 1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one is CCCNC1CCN(C(CO)COC)C1=O.
What is the InChIKey of 1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one?
The InChIKey is OROPBWSPZQXODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-5-12-10-4-6-13(11(10)15)9(7-14)8-16-2/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of 1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one?
1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one has a molecular weight of 230.31 g/mol, XLogP of -0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one is sourced from PubChem (CID 106187223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).