tert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate

C8H15NO4 — CID 141352721

IUPACtert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate
SMILESCC(C=O)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO4/c1-6(5-10)9(12)7(11)13-8(2,3)4/h5-6,12H,1-4H3
InChIKeyREOOXQOWJFNKAK-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.20
Rot. Bonds2

About tert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate

tert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate (PubChem CID 141352721) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate
PubChem CID141352721
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nametert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate
SMILESCC(C=O)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO4/c1-6(5-10)9(12)7(11)13-8(2,3)4/h5-6,12H,1-4H3
InChIKeyREOOXQOWJFNKAK-UHFFFAOYSA-N
XLogP1.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate
CID 140993360
tert-butyl N-hydroxy-N-pent-3-yn-2-ylcarbamate
CID 101374603
tert-butyl N-methyl-N-(3-methyl-1-oxobutan-2-yl)carbamate
CID 22055359
tert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate
CID 87963797
tert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate
CID 11593809
tert-butyl N-(4-fluorophenyl)-N-(1-oxopropan-2-yl)carbamate
CID 87606141
tert-butyl (2S)-2-methyl-3-oxopropanoate
CID 58446027
tert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate
CID 162406608
tert-butyl N-[methoxy(methyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate
CID 118978759
tert-butyl N-(1,1-difluoro-3-oxopropan-2-yl)-N-methylcarbamate
CID 84725208
tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate
CID 105468762
tert-butyl N-ethenyl-N-propan-2-ylcarbamate
CID 88918328

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate (CID 141352721) is tert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate is CC(C=O)N(O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate?
The InChIKey is REOOXQOWJFNKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6(5-10)9(12)7(11)13-8(2,3)4/h5-6,12H,1-4H3.
What are the key properties of tert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate?
tert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate has a molecular weight of 189.21 g/mol, XLogP of 1.20, 2 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-(1-oxopropan-2-yl)carbamate is sourced from PubChem (CID 141352721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).