tert-butyl 8-(acetyloxyamino)-8-oxooctanoate

C14H25NO5 — CID 164589367

IUPACtert-butyl 8-(acetyloxyamino)-8-oxooctanoate
SMILESCC(=O)ONC(=O)CCCCCCC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-11(16)20-15-12(17)9-7-5-6-8-10-13(18)19-14(2,3)4/h5-10H2,1-4H3,(H,15,17)
InChIKeyNNNJMNDSMRXGJF-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.26
Rot. Bonds7

About tert-butyl 8-(acetyloxyamino)-8-oxooctanoate

tert-butyl 8-(acetyloxyamino)-8-oxooctanoate (PubChem CID 164589367) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl 8-(acetyloxyamino)-8-oxooctanoate.

Molecular Properties

Compound Nametert-butyl 8-(acetyloxyamino)-8-oxooctanoate
PubChem CID164589367
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Nametert-butyl 8-(acetyloxyamino)-8-oxooctanoate
SMILESCC(=O)ONC(=O)CCCCCCC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-11(16)20-15-12(17)9-7-5-6-8-10-13(18)19-14(2,3)4/h5-10H2,1-4H3,(H,15,17)
InChIKeyNNNJMNDSMRXGJF-UHFFFAOYSA-N
XLogP2.26
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 7-amino-7-oxoheptanoate
CID 88902812
7-O-amino 1-O-tert-butyl heptanedioate
CID 87227654
ditert-butyl pentanedioate
CID 3016405
tert-butyl 16-hydroxyhexadecanoate
CID 118542708
tert-butyl octacosanoate
CID 174872722
(3S)-4-[(2-methylpropan-2-yl)oxy]-3-[[18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoyl]amino]-4-oxobutanoic acid
CID 121333070
tert-butyl 12-chlorododecanoate
CID 155893322
8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoate
CID 22106907
tert-butyl decanoate;hydrochloride
CID 172828660
tert-butyl decanoate;hydrobromide
CID 172791977
butane;tert-butyl nonanoate
CID 175191905
tert-butyl 18-chlorooctadecanoate
CID 155896070

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-(acetyloxyamino)-8-oxooctanoate?
The IUPAC name of tert-butyl 8-(acetyloxyamino)-8-oxooctanoate (CID 164589367) is tert-butyl 8-(acetyloxyamino)-8-oxooctanoate.
What is the SMILES notation for tert-butyl 8-(acetyloxyamino)-8-oxooctanoate?
The canonical SMILES for tert-butyl 8-(acetyloxyamino)-8-oxooctanoate is CC(=O)ONC(=O)CCCCCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 8-(acetyloxyamino)-8-oxooctanoate?
The InChIKey is NNNJMNDSMRXGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-11(16)20-15-12(17)9-7-5-6-8-10-13(18)19-14(2,3)4/h5-10H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl 8-(acetyloxyamino)-8-oxooctanoate?
tert-butyl 8-(acetyloxyamino)-8-oxooctanoate has a molecular weight of 287.36 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-(acetyloxyamino)-8-oxooctanoate is sourced from PubChem (CID 164589367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).