1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone

C9H18N2O2 — CID 107941611

IUPAC1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone
SMILESCCCOCC(=O)N1CC(C)(N)C1
InChIInChI=1S/C9H18N2O2/c1-3-4-13-5-8(12)11-6-9(2,10)7-11/h3-7,10H2,1-2H3
InChIKeyUYTORANAJCPLIT-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds4

About 1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone

1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone (PubChem CID 107941611) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone.

Molecular Properties

Compound Name1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone
PubChem CID107941611
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone
SMILESCCCOCC(=O)N1CC(C)(N)C1
InChIInChI=1S/C9H18N2O2/c1-3-4-13-5-8(12)11-6-9(2,10)7-11/h3-7,10H2,1-2H3
InChIKeyUYTORANAJCPLIT-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

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propoxyethanone
CID 120803973
3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide
CID 126820006
1-(3,3-dimethylpiperazin-1-yl)-2-propoxyethanone
CID 103722221
4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid
CID 103932837
1-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pentoxyethanone
CID 126842122
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride
CID 120817634
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-propoxyethanone;hydrochloride
CID 119484604
1-(2-propoxyacetyl)azetidine-3-carboxylic acid
CID 107938026
1-[4-(2-propoxyacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 113227408
1-(3-ethylpyrrolidin-1-yl)-2-propoxyethanone
CID 103747275
1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone
CID 107937213
2-[1-(2-propoxyacetyl)piperidin-4-yl]acetic acid
CID 103790225

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone?
The IUPAC name of 1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone (CID 107941611) is 1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone.
What is the SMILES notation for 1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone?
The canonical SMILES for 1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone is CCCOCC(=O)N1CC(C)(N)C1.
What is the InChIKey of 1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone?
The InChIKey is UYTORANAJCPLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-4-13-5-8(12)11-6-9(2,10)7-11/h3-7,10H2,1-2H3.
What are the key properties of 1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone?
1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone 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 1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone is sourced from PubChem (CID 107941611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).