[(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid

C8H18N2O3 — CID 87267529

IUPAC[(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)C(ON)C(C)(C)C
InChIInChI=1S/C8H18N2O3/c1-5(10-7(11)12)6(13-9)8(2,3)4/h5-6,10H,9H2,1-4H3,(H,11,12)/t5-,6?/m0/s1
InChIKeyBJXTXECQENVNQC-ZBHICJROSA-N
MW190.24 g/mol
LogP0.95
Rot. Bonds3

About [(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid

[(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid (PubChem CID 87267529) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is [(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid
PubChem CID87267529
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name[(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)C(ON)C(C)(C)C
InChIInChI=1S/C8H18N2O3/c1-5(10-7(11)12)6(13-9)8(2,3)4/h5-6,10H,9H2,1-4H3,(H,11,12)/t5-,6?/m0/s1
InChIKeyBJXTXECQENVNQC-ZBHICJROSA-N
XLogP0.95
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.95
H-Bond Donors ≤ 53
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 [(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid?
The IUPAC name of [(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid (CID 87267529) is [(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid is C[C@H](NC(=O)O)C(ON)C(C)(C)C.
What is the InChIKey of [(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid?
The InChIKey is BJXTXECQENVNQC-ZBHICJROSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-5(10-7(11)12)6(13-9)8(2,3)4/h5-6,10H,9H2,1-4H3,(H,11,12)/t5-,6?/m0/s1.
What are the key properties of [(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid?
[(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid has a molecular weight of 190.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid is sourced from PubChem (CID 87267529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).