2-aminooxyethyl(2,3,3-trimethylbutan-2-yl)carbamic acid

C10H22N2O3 — CID 87643776

IUPAC2-aminooxyethyl(2,3,3-trimethylbutan-2-yl)carbamic acid
SMILESCC(C)(C)C(C)(C)N(CCON)C(=O)O
InChIInChI=1S/C10H22N2O3/c1-9(2,3)10(4,5)12(8(13)14)6-7-15-11/h6-7,11H2,1-5H3,(H,13,14)
InChIKeyNGBYXOBYRMPGEV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.68
Rot. Bonds4

About 2-aminooxyethyl(2,3,3-trimethylbutan-2-yl)carbamic acid

2-aminooxyethyl(2,3,3-trimethylbutan-2-yl)carbamic acid (PubChem CID 87643776) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-aminooxyethyl(2,3,3-trimethylbutan-2-yl)carbamic acid.

Molecular Properties

Compound Name2-aminooxyethyl(2,3,3-trimethylbutan-2-yl)carbamic acid
PubChem CID87643776
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-aminooxyethyl(2,3,3-trimethylbutan-2-yl)carbamic acid
SMILESCC(C)(C)C(C)(C)N(CCON)C(=O)O
InChIInChI=1S/C10H22N2O3/c1-9(2,3)10(4,5)12(8(13)14)6-7-15-11/h6-7,11H2,1-5H3,(H,13,14)
InChIKeyNGBYXOBYRMPGEV-UHFFFAOYSA-N
XLogP1.68
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.68
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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Frequently Asked Questions

What is the IUPAC name of 2-aminooxyethyl(2,3,3-trimethylbutan-2-yl)carbamic acid?
The IUPAC name of 2-aminooxyethyl(2,3,3-trimethylbutan-2-yl)carbamic acid (CID 87643776) is 2-aminooxyethyl(2,3,3-trimethylbutan-2-yl)carbamic acid.
What is the SMILES notation for 2-aminooxyethyl(2,3,3-trimethylbutan-2-yl)carbamic acid?
The canonical SMILES for 2-aminooxyethyl(2,3,3-trimethylbutan-2-yl)carbamic acid is CC(C)(C)C(C)(C)N(CCON)C(=O)O.
What is the InChIKey of 2-aminooxyethyl(2,3,3-trimethylbutan-2-yl)carbamic acid?
The InChIKey is NGBYXOBYRMPGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-9(2,3)10(4,5)12(8(13)14)6-7-15-11/h6-7,11H2,1-5H3,(H,13,14).
What are the key properties of 2-aminooxyethyl(2,3,3-trimethylbutan-2-yl)carbamic acid?
2-aminooxyethyl(2,3,3-trimethylbutan-2-yl)carbamic acid has a molecular weight of 218.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxyethyl(2,3,3-trimethylbutan-2-yl)carbamic acid is sourced from PubChem (CID 87643776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).