tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid

C10H22N2O6 — CID 158003972

IUPACtert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid
SMILESCC(C)(C)N(O)C(=O)O.CC(C)(C)OC(=O)NO
InChIInChI=1S/2C5H11NO3/c1-5(2,3)9-4(7)6-8;1-5(2,3)6(9)4(7)8/h8H,1-3H3,(H,6,7);9H,1-3H3,(H,7,8)
InChIKeyFEBHPIMSAATNQM-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.05
Rot. Bonds

About tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid

tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid (PubChem CID 158003972) has the molecular formula C10H22N2O6 and a molecular weight of 266.29 g/mol. Its IUPAC name is tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid.

Molecular Properties

Compound Nametert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid
PubChem CID158003972
Molecular FormulaC10H22N2O6
Molecular Weight266.29 g/mol
Exact Mass266.15
IUPAC Nametert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid
SMILESCC(C)(C)N(O)C(=O)O.CC(C)(C)OC(=O)NO
InChIInChI=1S/2C5H11NO3/c1-5(2,3)9-4(7)6-8;1-5(2,3)6(9)4(7)8/h8H,1-3H3,(H,6,7);9H,1-3H3,(H,7,8)
InChIKeyFEBHPIMSAATNQM-UHFFFAOYSA-N
XLogP2.05
TPSA119.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

(2-methylpropan-2-yl)oxycarbonylcarbamic acid
CID 15431621
acetic acid;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 162336358
but-1-en-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamic acid
CID 174730224
tert-butyl N-[(2S)-1-[tert-butyl(hydroxy)amino]-1-oxopentan-2-yl]carbamate
CID 91015217
tert-butyl N-methylcarbamate;ethane
CID 142957488
tert-butyl N-bromocarbamate
CID 19029934
tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853
tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)oxycarbamate
CID 10845899
acetic acid;tert-butyl N-aminocarbamate
CID 174608013
tert-butyl N-hydroxycarbamate;ethyl 2-hydroxyacetate;N-hydroxyacetamide
CID 157057937
(2S)-3,3,3-trideuterio-2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino](1,2-13C2)propanoic acid
CID 10241746
2-[(2-hydroxyacetyl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]acetic acid
CID 123743343

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid?
The IUPAC name of tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid (CID 158003972) is tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid.
What is the SMILES notation for tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid?
The canonical SMILES for tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid is CC(C)(C)N(O)C(=O)O.CC(C)(C)OC(=O)NO.
What is the InChIKey of tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid?
The InChIKey is FEBHPIMSAATNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11NO3/c1-5(2,3)9-4(7)6-8;1-5(2,3)6(9)4(7)8/h8H,1-3H3,(H,6,7);9H,1-3H3,(H,7,8).
What are the key properties of tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid?
tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid has a molecular weight of 266.29 g/mol, XLogP of 2.05, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid is sourced from PubChem (CID 158003972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).