tert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate

C10H19NO4 — CID 87963797

IUPACtert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate
SMILESCCC(=O)C(C)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-6-8(12)7(2)11(14)9(13)15-10(3,4)5/h7,14H,6H2,1-5H3
InChIKeyBYWKGSFOYHMWTB-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.98
Rot. Bonds3

About tert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate

tert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate (PubChem CID 87963797) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate
PubChem CID87963797
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate
SMILESCCC(=O)C(C)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-6-8(12)7(2)11(14)9(13)15-10(3,4)5/h7,14H,6H2,1-5H3
InChIKeyBYWKGSFOYHMWTB-UHFFFAOYSA-N
XLogP1.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(3-oxopentan-2-yl)carbamate
CID 11823244
tert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate
CID 141352721
tert-butyl 2-methyl-3-oxopentanoate
CID 11412794
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]propanoic acid
CID 11218414
(2S)-2-[[(2S)-3-methylbutan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 90464738
tert-butyl N-hydroxy-N-pent-3-yn-2-ylcarbamate
CID 101374603
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
tert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate
CID 11593809
(2S,3S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylpentanoic acid
CID 22806266
tert-butyl N-(4-chloro-3-oxobutan-2-yl)-N-methylcarbamate
CID 104701196
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]amino]propanoic acid
CID 46737277

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate (CID 87963797) is tert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate is CCC(=O)C(C)N(O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate?
The InChIKey is BYWKGSFOYHMWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6-8(12)7(2)11(14)9(13)15-10(3,4)5/h7,14H,6H2,1-5H3.
What are the key properties of tert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate?
tert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate has a molecular weight of 217.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate is sourced from PubChem (CID 87963797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).