2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one

C11H22N2O4 — CID 107852687

IUPAC2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NC(CO)(CO)CO)C(=O)N1CCCC1
InChIInChI=1S/C11H22N2O4/c1-9(10(17)13-4-2-3-5-13)12-11(6-14,7-15)8-16/h9,12,14-16H,2-8H2,1H3
InChIKeyTVNXKQOEAWLZFS-UHFFFAOYSA-N
MW246.31 g/mol
LogP-1.70
Rot. Bonds6

About 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one

2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 107852687) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID107852687
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NC(CO)(CO)CO)C(=O)N1CCCC1
InChIInChI=1S/C11H22N2O4/c1-9(10(17)13-4-2-3-5-13)12-11(6-14,7-15)8-16/h9,12,14-16H,2-8H2,1H3
InChIKeyTVNXKQOEAWLZFS-UHFFFAOYSA-N
XLogP-1.70
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114154103
1-(azepan-1-yl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]propan-1-one
CID 106176934
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
CID 43089165
2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43389372
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114149934
1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one
CID 79248979
1-(azetidin-1-yl)-2-(methylamino)propan-1-one
CID 130546947
2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one
CID 66178031
1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
CID 113233582
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)ethanesulfonamide
CID 112687583
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106147291

Frequently Asked Questions

What is the IUPAC name of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one (CID 107852687) is 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one is CC(NC(CO)(CO)CO)C(=O)N1CCCC1.
What is the InChIKey of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is TVNXKQOEAWLZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-9(10(17)13-4-2-3-5-13)12-11(6-14,7-15)8-16/h9,12,14-16H,2-8H2,1H3.
What are the key properties of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 246.31 g/mol, XLogP of -1.70, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 107852687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).