methyl 2-[methoxy(nitroso)amino]-2-methylpropanoate

C6H12N2O4 — CID 23261268

IUPACmethyl 2-[methoxy(nitroso)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(N=O)OC
InChIInChI=1S/C6H12N2O4/c1-6(2,5(9)11-3)8(7-10)12-4/h1-4H3
InChIKeyNZYQZZKXBMFLNK-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.48
Rot. Bonds4

About methyl 2-[methoxy(nitroso)amino]-2-methylpropanoate

methyl 2-[methoxy(nitroso)amino]-2-methylpropanoate (PubChem CID 23261268) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is methyl 2-[methoxy(nitroso)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[methoxy(nitroso)amino]-2-methylpropanoate
PubChem CID23261268
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Namemethyl 2-[methoxy(nitroso)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(N=O)OC
InChIInChI=1S/C6H12N2O4/c1-6(2,5(9)11-3)8(7-10)12-4/h1-4H3
InChIKeyNZYQZZKXBMFLNK-UHFFFAOYSA-N
XLogP0.48
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-hydroxyethoxy(methoxy)amino]-2-methylpropanoate
CID 544558
methyl 2-bromo-2-chloropropanoate
CID 11052670
methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate
CID 62488791
methyl 2,4,4-trimethyl-2-(methylamino)pentanoate
CID 134267857
dimethyl 2-acetyloxy-2-methylpropanedioate
CID 87273644
dimethyl 2,3-dimethoxy-2,3-dimethylbutanedioate
CID 151999350
dimethyl 2-iodo-2-methylpropanedioate
CID 23080719
methyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 12696477
methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate
CID 160630630
methyl 2-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate
CID 75386746
methyl 2-methoxy-2,3-dimethylbutanoate
CID 59972485
methyl 2-amino-2-methylselanylpropanoate
CID 141138215

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methoxy(nitroso)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[methoxy(nitroso)amino]-2-methylpropanoate (CID 23261268) is methyl 2-[methoxy(nitroso)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[methoxy(nitroso)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[methoxy(nitroso)amino]-2-methylpropanoate is COC(=O)C(C)(C)N(N=O)OC.
What is the InChIKey of methyl 2-[methoxy(nitroso)amino]-2-methylpropanoate?
The InChIKey is NZYQZZKXBMFLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-6(2,5(9)11-3)8(7-10)12-4/h1-4H3.
What are the key properties of methyl 2-[methoxy(nitroso)amino]-2-methylpropanoate?
methyl 2-[methoxy(nitroso)amino]-2-methylpropanoate has a molecular weight of 176.17 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methoxy(nitroso)amino]-2-methylpropanoate is sourced from PubChem (CID 23261268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).