1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one

C10H20N2O2 — CID 70853461

IUPAC1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
SMILESCNCCC(=O)N1CCC[C@@H]1COC
InChIInChI=1S/C10H20N2O2/c1-11-6-5-10(13)12-7-3-4-9(12)8-14-2/h9,11H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyVKSQNKKACTWACD-SECBINFHSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds5

About 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one

1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one (PubChem CID 70853461) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
PubChem CID70853461
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
SMILESCNCCC(=O)N1CCC[C@@H]1COC
InChIInChI=1S/C10H20N2O2/c1-11-6-5-10(13)12-7-3-4-9(12)8-14-2/h9,11H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyVKSQNKKACTWACD-SECBINFHSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 83624640
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241692
methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 70317930
4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129359557
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
2-(methoxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 110874580
2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 121201498
2-[1-[4-(methylamino)butanoyl]pyrrolidin-2-yl]acetic acid
CID 61371159
CID 166480351
CID 166480351
(3Z,4Z,6E)-3-ethylidene-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methylocta-4,6-dien-1-one
CID 142986757
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one?
The IUPAC name of 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one (CID 70853461) is 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one?
The canonical SMILES for 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one is CNCCC(=O)N1CCC[C@@H]1COC.
What is the InChIKey of 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one?
The InChIKey is VKSQNKKACTWACD-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-11-6-5-10(13)12-7-3-4-9(12)8-14-2/h9,11H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one?
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one is sourced from PubChem (CID 70853461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).