tert-butyl 2-(methoxyamino)propanoate

C8H17NO3 — CID 64688772

IUPACtert-butyl 2-(methoxyamino)propanoate
SMILESCONC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-6(9-11-5)7(10)12-8(2,3)4/h6,9H,1-5H3
InChIKeyZWHXAQRDTHKQMF-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.87
Rot. Bonds3

About tert-butyl 2-(methoxyamino)propanoate

tert-butyl 2-(methoxyamino)propanoate (PubChem CID 64688772) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is tert-butyl 2-(methoxyamino)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(methoxyamino)propanoate
PubChem CID64688772
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nametert-butyl 2-(methoxyamino)propanoate
SMILESCONC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-6(9-11-5)7(10)12-8(2,3)4/h6,9H,1-5H3
InChIKeyZWHXAQRDTHKQMF-UHFFFAOYSA-N
XLogP0.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
3-O-tert-butyl 1-O-methyl (2S)-2-methylpropanedioate
CID 91757639
tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 81004146
tert-butyl 2-(2-methylpropanoylamino)propanoate
CID 76825480
tert-butyl (2S)-2-(2-methylpropanoylamino)propanoate
CID 58591694
tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate
CID 103903785
tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate
CID 115642073
tert-butyl 2-(2-methylpropylamino)propanoate
CID 64688335
tert-butyl 2-(carbamothioylamino)propanoate
CID 141124888
tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
CID 91979491
ditert-butyl methyl methanetricarboxylate
CID 45278404
tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate
CID 66337597

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methoxyamino)propanoate?
The IUPAC name of tert-butyl 2-(methoxyamino)propanoate (CID 64688772) is tert-butyl 2-(methoxyamino)propanoate.
What is the SMILES notation for tert-butyl 2-(methoxyamino)propanoate?
The canonical SMILES for tert-butyl 2-(methoxyamino)propanoate is CONC(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(methoxyamino)propanoate?
The InChIKey is ZWHXAQRDTHKQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(9-11-5)7(10)12-8(2,3)4/h6,9H,1-5H3.
What are the key properties of tert-butyl 2-(methoxyamino)propanoate?
tert-butyl 2-(methoxyamino)propanoate has a molecular weight of 175.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methoxyamino)propanoate is sourced from PubChem (CID 64688772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).