ethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate

C9H18N2O2 — CID 65250331

IUPACethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)CN1CC(N)C1
InChIInChI=1S/C9H18N2O2/c1-3-13-9(12)7(2)4-11-5-8(10)6-11/h7-8H,3-6,10H2,1-2H3
InChIKeyJZGHSIMBXXJXCK-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.17
Rot. Bonds4

About ethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate

ethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate (PubChem CID 65250331) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate
PubChem CID65250331
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)CN1CC(N)C1
InChIInChI=1S/C9H18N2O2/c1-3-13-9(12)7(2)4-11-5-8(10)6-11/h7-8H,3-6,10H2,1-2H3
InChIKeyJZGHSIMBXXJXCK-UHFFFAOYSA-N
XLogP-0.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-methylpropanoate
CID 79410419
ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate
CID 62063969
ethyl 2-(3-aminoazetidin-1-yl)propanoate
CID 65249905
methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
CID 115302351
ethyl (2S)-4-cyclohexyl-2-methylbutanoate
CID 59355198
ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate
CID 55068243
ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
CID 103502066
ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate
CID 81097454
ethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate
CID 140660680
ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
CID 103501963
ethyl 3-(3-aminoazetidin-1-yl)butanoate
CID 65249618
ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate
CID 119789233

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate?
The IUPAC name of ethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate (CID 65250331) is ethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate is CCOC(=O)C(C)CN1CC(N)C1.
What is the InChIKey of ethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate?
The InChIKey is JZGHSIMBXXJXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-13-9(12)7(2)4-11-5-8(10)6-11/h7-8H,3-6,10H2,1-2H3.
What are the key properties of ethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate?
ethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate has a molecular weight of 186.25 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate is sourced from PubChem (CID 65250331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).