1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone

C12H23N3O2 — CID 110108874

IUPAC1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(O)(CN2CCCC2)C1
InChIInChI=1S/C12H23N3O2/c1-13-8-11(16)15-7-4-12(17,10-15)9-14-5-2-3-6-14/h13,17H,2-10H2,1H3
InChIKeyILYPLCMKICQJTD-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.74
Rot. Bonds4

About 1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone

1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone (PubChem CID 110108874) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
PubChem CID110108874
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(O)(CN2CCCC2)C1
InChIInChI=1S/C12H23N3O2/c1-13-8-11(16)15-7-4-12(17,10-15)9-14-5-2-3-6-14/h13,17H,2-10H2,1H3
InChIKeyILYPLCMKICQJTD-UHFFFAOYSA-N
XLogP-0.74
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 110108846
1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone
CID 131089762
1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone;hydrochloride
CID 131089761
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 124990157
2-(methylamino)-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 129496332
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 124965559
N-[2-[4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyazepan-1-yl]-2-oxoethyl]methanesulfonamide
CID 110123164
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 124960013
1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 125004805
1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 124941937
[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 124967904
3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol
CID 84731876

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone (CID 110108874) is 1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCC(O)(CN2CCCC2)C1.
What is the InChIKey of 1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is ILYPLCMKICQJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-13-8-11(16)15-7-4-12(17,10-15)9-14-5-2-3-6-14/h13,17H,2-10H2,1H3.
What are the key properties of 1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone?
1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 241.33 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 110108874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).