1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone

C10H20N2O2 — CID 96553174

IUPAC1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](CN(C)CCO)C1
InChIInChI=1S/C10H20N2O2/c1-9(14)12-4-3-10(8-12)7-11(2)5-6-13/h10,13H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyRTIBJYFEDYQFQW-JTQLQIEISA-N
MW200.28 g/mol
LogP-0.22
Rot. Bonds4

About 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone

1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 96553174) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
PubChem CID96553174
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](CN(C)CCO)C1
InChIInChI=1S/C10H20N2O2/c1-9(14)12-4-3-10(8-12)7-11(2)5-6-13/h10,13H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyRTIBJYFEDYQFQW-JTQLQIEISA-N
XLogP-0.22
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone
CID 66565448
1-[3-[[4-hydroxybutyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 109397413
1-[(3S)-3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96553193
1-[3-[[[4-(hydroxymethyl)phenyl]methyl-methylamino]methyl]pyrrolidin-1-yl]ethanone
CID 110009631
1-[(3R)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidin-1-yl]ethanone
CID 96553206
1-[3-[[2-aminoethyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 66565532
1-[(3S)-3-(iodomethyl)pyrrolidin-1-yl]ethanone
CID 96555506
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid
CID 96553143
1-[3-(2-chloroethyl)pyrrolidin-1-yl]ethanone
CID 114801099
3-amino-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
CID 119895941
1-[(3S)-3-[[(4-chloro-3-fluorophenyl)methyl-methylamino]methyl]pyrrolidin-1-yl]ethanone
CID 97156859

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone (CID 96553174) is 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@@H](CN(C)CCO)C1.
What is the InChIKey of 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is RTIBJYFEDYQFQW-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(14)12-4-3-10(8-12)7-11(2)5-6-13/h10,13H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone?
1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 200.28 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 96553174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).