2-(2-aminoethoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone

C9H18N2O3 — CID 103355882

IUPAC2-(2-aminoethoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
SMILESCC1(O)CCN(C(=O)COCCN)C1
InChIInChI=1S/C9H18N2O3/c1-9(13)2-4-11(7-9)8(12)6-14-5-3-10/h13H,2-7,10H2,1H3
InChIKeyDVXXNOKCZDBXFO-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.05
Rot. Bonds4

About 2-(2-aminoethoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone

2-(2-aminoethoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone (PubChem CID 103355882) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
PubChem CID103355882
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-(2-aminoethoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
SMILESCC1(O)CCN(C(=O)COCCN)C1
InChIInChI=1S/C9H18N2O3/c1-9(13)2-4-11(7-9)8(12)6-14-5-3-10/h13H,2-7,10H2,1H3
InChIKeyDVXXNOKCZDBXFO-UHFFFAOYSA-N
XLogP-1.05
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355732
2-bromo-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103355718
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propoxyethanone
CID 120803973
2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874750
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxybutan-1-one
CID 103726993
2-(4-chlorophenoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103726935
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-butoxyethanone;hydrochloride
CID 120807504
3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 114032004
1-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 79473074
[1-(aminomethyl)cyclopentyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355739
bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 150880281
3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)pentan-1-one
CID 103355978

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(2-aminoethoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone (CID 103355882) is 2-(2-aminoethoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-aminoethoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(2-aminoethoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone is CC1(O)CCN(C(=O)COCCN)C1.
What is the InChIKey of 2-(2-aminoethoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone?
The InChIKey is DVXXNOKCZDBXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(13)2-4-11(7-9)8(12)6-14-5-3-10/h13H,2-7,10H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone?
2-(2-aminoethoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone has a molecular weight of 202.25 g/mol, XLogP of -1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 103355882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).