tert-butyl 3-(methoxyamino)propanoate

C8H17NO3 — CID 10751000

IUPACtert-butyl 3-(methoxyamino)propanoate
SMILESCONCCC(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-8(2,3)12-7(10)5-6-9-11-4/h9H,5-6H2,1-4H3
InChIKeyVCYOQZKUABHGHJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.87
Rot. Bonds4

About tert-butyl 3-(methoxyamino)propanoate

tert-butyl 3-(methoxyamino)propanoate (PubChem CID 10751000) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is tert-butyl 3-(methoxyamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(methoxyamino)propanoate
PubChem CID10751000
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nametert-butyl 3-(methoxyamino)propanoate
SMILESCONCCC(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-8(2,3)12-7(10)5-6-9-11-4/h9H,5-6H2,1-4H3
InChIKeyVCYOQZKUABHGHJ-UHFFFAOYSA-N
XLogP0.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-(2,2-dimethylpropanoylamino)propanoate
CID 79005634
tert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate
CID 103264791
ditert-butyl pentanedioate
CID 3016405
tert-butyl 3-(propylamino)propanoate;ethane
CID 143325364
tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate
CID 103237046
tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 18374585
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170917699
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate
CID 103249148
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
tert-butyl 3-(3-hydroxypropylamino)propanoate
CID 18940757
tert-butyl 3-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]propanoate
CID 123132148

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(methoxyamino)propanoate?
The IUPAC name of tert-butyl 3-(methoxyamino)propanoate (CID 10751000) is tert-butyl 3-(methoxyamino)propanoate.
What is the SMILES notation for tert-butyl 3-(methoxyamino)propanoate?
The canonical SMILES for tert-butyl 3-(methoxyamino)propanoate is CONCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(methoxyamino)propanoate?
The InChIKey is VCYOQZKUABHGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,3)12-7(10)5-6-9-11-4/h9H,5-6H2,1-4H3.
What are the key properties of tert-butyl 3-(methoxyamino)propanoate?
tert-butyl 3-(methoxyamino)propanoate has a molecular weight of 175.23 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(methoxyamino)propanoate is sourced from PubChem (CID 10751000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).