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

C9H18N2O2 — CID 83624626

IUPAC3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
SMILESCOCC1CCCN1C(=O)CCN
InChIInChI=1S/C9H18N2O2/c1-13-7-8-3-2-6-11(8)9(12)4-5-10/h8H,2-7,10H2,1H3
InChIKeyVIEJABGQTXVSIK-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds4

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

3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 83624626) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID83624626
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
SMILESCOCC1CCCN1C(=O)CCN
InChIInChI=1S/C9H18N2O2/c1-13-7-8-3-2-6-11(8)9(12)4-5-10/h8H,2-7,10H2,1H3
InChIKeyVIEJABGQTXVSIK-UHFFFAOYSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 70853461
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241692
3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129323138
4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129359557
2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 121201498
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
1-[2-(3-aminopropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 63767297
methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 70317930
3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 83620444
1-[2-(methoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 83624640
CID 166480351
CID 166480351
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 71355613

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one (CID 83624626) is 3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one is COCC1CCCN1C(=O)CCN.
What is the InChIKey of 3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is VIEJABGQTXVSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-13-7-8-3-2-6-11(8)9(12)4-5-10/h8H,2-7,10H2,1H3.
What are the key properties of 3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one?
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 83624626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).