tert-butyl 2-[acetyl(acetyloxy)amino]pentanoate

C13H23NO5 — CID 23161677

IUPACtert-butyl 2-[acetyl(acetyloxy)amino]pentanoate
SMILESCCCC(C(=O)OC(C)(C)C)N(OC(C)=O)C(C)=O
InChIInChI=1S/C13H23NO5/c1-7-8-11(12(17)18-13(4,5)6)14(9(2)15)19-10(3)16/h11H,7-8H2,1-6H3
InChIKeyCLWCKLDNCLVAIY-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.82
Rot. Bonds4

About tert-butyl 2-[acetyl(acetyloxy)amino]pentanoate

tert-butyl 2-[acetyl(acetyloxy)amino]pentanoate (PubChem CID 23161677) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is tert-butyl 2-[acetyl(acetyloxy)amino]pentanoate.

Molecular Properties

Compound Nametert-butyl 2-[acetyl(acetyloxy)amino]pentanoate
PubChem CID23161677
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Nametert-butyl 2-[acetyl(acetyloxy)amino]pentanoate
SMILESCCCC(C(=O)OC(C)(C)C)N(OC(C)=O)C(C)=O
InChIInChI=1S/C13H23NO5/c1-7-8-11(12(17)18-13(4,5)6)14(9(2)15)19-10(3)16/h11H,7-8H2,1-6H3
InChIKeyCLWCKLDNCLVAIY-UHFFFAOYSA-N
XLogP1.82
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[acetyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 164725863
tert-butyl (2R)-2-hydroxypentanoate
CID 90988150
ethyl 2-[acetyl(acetyloxy)amino]propanoate
CID 23161671
tert-butyl 2-propyldecanoate
CID 141018568
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 175182168
ditert-butyl 2-methyl-5-propylhexanedioate
CID 175603524
tert-butyl 2-(2-iodopropan-2-yl)pentanoate
CID 88905157
tert-butyl (2S)-2-(methylamino)pentanoate
CID 143115703
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 7010348
tert-butyl 2-propylnon-7-enoate
CID 175432336
tert-butyl 2-(2-methylpropylamino)pentanoate
CID 75458085
tert-butyl (2R)-2-formyloxypentanoate
CID 91501739

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[acetyl(acetyloxy)amino]pentanoate?
The IUPAC name of tert-butyl 2-[acetyl(acetyloxy)amino]pentanoate (CID 23161677) is tert-butyl 2-[acetyl(acetyloxy)amino]pentanoate.
What is the SMILES notation for tert-butyl 2-[acetyl(acetyloxy)amino]pentanoate?
The canonical SMILES for tert-butyl 2-[acetyl(acetyloxy)amino]pentanoate is CCCC(C(=O)OC(C)(C)C)N(OC(C)=O)C(C)=O.
What is the InChIKey of tert-butyl 2-[acetyl(acetyloxy)amino]pentanoate?
The InChIKey is CLWCKLDNCLVAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-7-8-11(12(17)18-13(4,5)6)14(9(2)15)19-10(3)16/h11H,7-8H2,1-6H3.
What are the key properties of tert-butyl 2-[acetyl(acetyloxy)amino]pentanoate?
tert-butyl 2-[acetyl(acetyloxy)amino]pentanoate has a molecular weight of 273.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[acetyl(acetyloxy)amino]pentanoate is sourced from PubChem (CID 23161677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).