2-aminooxyethyl(tert-butyl)carbamic acid

C7H16N2O3 — CID 86619024

IUPAC2-aminooxyethyl(tert-butyl)carbamic acid
SMILESCC(C)(C)N(CCON)C(=O)O
InChIInChI=1S/C7H16N2O3/c1-7(2,3)9(6(10)11)4-5-12-8/h4-5,8H2,1-3H3,(H,10,11)
InChIKeyFTMJUXSPDVGEKG-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.66
Rot. Bonds3

About 2-aminooxyethyl(tert-butyl)carbamic acid

2-aminooxyethyl(tert-butyl)carbamic acid (PubChem CID 86619024) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-aminooxyethyl(tert-butyl)carbamic acid.

Molecular Properties

Compound Name2-aminooxyethyl(tert-butyl)carbamic acid
PubChem CID86619024
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name2-aminooxyethyl(tert-butyl)carbamic acid
SMILESCC(C)(C)N(CCON)C(=O)O
InChIInChI=1S/C7H16N2O3/c1-7(2,3)9(6(10)11)4-5-12-8/h4-5,8H2,1-3H3,(H,10,11)
InChIKeyFTMJUXSPDVGEKG-UHFFFAOYSA-N
XLogP0.66
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Aminooxyethyl(methyl)carbamic acid
CID 22286173
Tert-butyl(2-hydroxyethyl)carbamic acid
CID 57051179
Ethyl-(1-hydroxy-2-methylpropan-2-yl)carbamic acid
CID 57352869
[(2S)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid
CID 87267527
2-Aminooxyethyl(2,3,3-trimethylbutan-2-yl)carbamic acid
CID 87643776
2-Aminooxyethyl(2,2-dimethylpropyl)carbamic acid
CID 87643976
Tert-butyl-[2-[2-(diethylamino)ethoxy]ethyl]carbamic acid
CID 89401690
Amino-tert-butyl-carboxy-(2-hydroxyethyl)azanium
CID 91184535
methyl N-tert-butyl-N-(2-hydroxyethyl)carbamate
CID 91205196
2-Aminooxyethyl(propyl)carbamic acid
CID 117988462
2-Aminooxyethyl(propan-2-yl)carbamic acid
CID 117988669
[(2S)-2-aminooxypropyl]-tert-butylcarbamic acid
CID 118073794

Frequently Asked Questions

What is the IUPAC name of 2-aminooxyethyl(tert-butyl)carbamic acid?
The IUPAC name of 2-aminooxyethyl(tert-butyl)carbamic acid (CID 86619024) is 2-aminooxyethyl(tert-butyl)carbamic acid.
What is the SMILES notation for 2-aminooxyethyl(tert-butyl)carbamic acid?
The canonical SMILES for 2-aminooxyethyl(tert-butyl)carbamic acid is CC(C)(C)N(CCON)C(=O)O.
What is the InChIKey of 2-aminooxyethyl(tert-butyl)carbamic acid?
The InChIKey is FTMJUXSPDVGEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-7(2,3)9(6(10)11)4-5-12-8/h4-5,8H2,1-3H3,(H,10,11).
What are the key properties of 2-aminooxyethyl(tert-butyl)carbamic acid?
2-aminooxyethyl(tert-butyl)carbamic acid has a molecular weight of 176.22 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxyethyl(tert-butyl)carbamic acid is sourced from PubChem (CID 86619024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).