(2-aminooxy-3,3-dimethylbutyl)carbamic acid

C7H16N2O3 — CID 146400959

IUPAC(2-aminooxy-3,3-dimethylbutyl)carbamic acid
SMILESCC(C)(C)C(CNC(=O)O)ON
InChIInChI=1S/C7H16N2O3/c1-7(2,3)5(12-8)4-9-6(10)11/h5,9H,4,8H2,1-3H3,(H,10,11)
InChIKeyYTTKXXBMBBPLFZ-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.56
Rot. Bonds3

About (2-aminooxy-3,3-dimethylbutyl)carbamic acid

(2-aminooxy-3,3-dimethylbutyl)carbamic acid (PubChem CID 146400959) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is (2-aminooxy-3,3-dimethylbutyl)carbamic acid.

Molecular Properties

Compound Name(2-aminooxy-3,3-dimethylbutyl)carbamic acid
PubChem CID146400959
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name(2-aminooxy-3,3-dimethylbutyl)carbamic acid
SMILESCC(C)(C)C(CNC(=O)O)ON
InChIInChI=1S/C7H16N2O3/c1-7(2,3)5(12-8)4-9-6(10)11/h5,9H,4,8H2,1-3H3,(H,10,11)
InChIKeyYTTKXXBMBBPLFZ-UHFFFAOYSA-N
XLogP0.56
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-aminooxy-3,3-dimethylbutyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid
CID 90470587
(3,3-dimethyl-2-sulfanylbutyl)carbamic acid
CID 87374025
[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid
CID 87077916
4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride
CID 119341487
2-(2-aminoethoxy)propylcarbamic acid
CID 175060404
1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide
CID 119341486
2,2-dimethoxyethylcarbamic acid
CID 18938836
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
(2-hydroxy-3-methylbutyl)carbamic acid
CID 135330394
[2-amino-3-tert-butyl-1-(carboxyamino)-4,4-dimethylpentan-3-yl]carbamic acid
CID 57453886
[(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid
CID 87267529
3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride
CID 120502078

Frequently Asked Questions

What is the IUPAC name of (2-aminooxy-3,3-dimethylbutyl)carbamic acid?
The IUPAC name of (2-aminooxy-3,3-dimethylbutyl)carbamic acid (CID 146400959) is (2-aminooxy-3,3-dimethylbutyl)carbamic acid.
What is the SMILES notation for (2-aminooxy-3,3-dimethylbutyl)carbamic acid?
The canonical SMILES for (2-aminooxy-3,3-dimethylbutyl)carbamic acid is CC(C)(C)C(CNC(=O)O)ON.
What is the InChIKey of (2-aminooxy-3,3-dimethylbutyl)carbamic acid?
The InChIKey is YTTKXXBMBBPLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-7(2,3)5(12-8)4-9-6(10)11/h5,9H,4,8H2,1-3H3,(H,10,11).
What are the key properties of (2-aminooxy-3,3-dimethylbutyl)carbamic acid?
(2-aminooxy-3,3-dimethylbutyl)carbamic acid has a molecular weight of 176.22 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminooxy-3,3-dimethylbutyl)carbamic acid is sourced from PubChem (CID 146400959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).