methyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate

C10H21NO3 — CID 16658549

IUPACmethyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate
SMILESCOC(=O)C(C)(C)C(NO)C(C)(C)C
InChIInChI=1S/C10H21NO3/c1-9(2,3)7(11-13)10(4,5)8(12)14-6/h7,11,13H,1-6H3
InChIKeyCNBDDWQVKDYHDD-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.58
Rot. Bonds3

About methyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate

methyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate (PubChem CID 16658549) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is methyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate.

Molecular Properties

Compound Namemethyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate
PubChem CID16658549
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namemethyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate
SMILESCOC(=O)C(C)(C)C(NO)C(C)(C)C
InChIInChI=1S/C10H21NO3/c1-9(2,3)7(11-13)10(4,5)8(12)14-6/h7,11,13H,1-6H3
InChIKeyCNBDDWQVKDYHDD-UHFFFAOYSA-N
XLogP1.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate
CID 105489493
methyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate
CID 116910331
methyl 3-(hydroxyamino)-2,2-dimethylhexanoate
CID 102082045
methyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride
CID 146049302
dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate;methane
CID 161413673
methyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
CID 134930806
methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
CID 11066876
6-methoxy-2,3,5,5-tetramethyl-6-oxohex-3-enoic acid
CID 58764884
methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate
CID 43726051
methyl 3-amino-2,2-dimethylhexanoate
CID 115014178
methyl 2,2,3,6,6-pentamethyl-5-oxoheptanoate
CID 10489549
methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride
CID 14426986

Frequently Asked Questions

What is the IUPAC name of methyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate?
The IUPAC name of methyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate (CID 16658549) is methyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate.
What is the SMILES notation for methyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate?
The canonical SMILES for methyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate is COC(=O)C(C)(C)C(NO)C(C)(C)C.
What is the InChIKey of methyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate?
The InChIKey is CNBDDWQVKDYHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9(2,3)7(11-13)10(4,5)8(12)14-6/h7,11,13H,1-6H3.
What are the key properties of methyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate?
methyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate has a molecular weight of 203.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate is sourced from PubChem (CID 16658549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).