2-methylpropyl N-hydroxycarbamate

C5H11NO3 — CID 22467

IUPAC2-methylpropyl N-hydroxycarbamate
SMILESCC(C)COC(=O)NO
InChIInChI=1S/C5H11NO3/c1-4(2)3-9-5(7)6-8/h4,8H,3H2,1-2H3,(H,6,7)
InChIKeyITJIAVPHDOKGHM-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.76
Rot. Bonds2

About 2-methylpropyl N-hydroxycarbamate

2-methylpropyl N-hydroxycarbamate (PubChem CID 22467) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-methylpropyl N-hydroxycarbamate.

Molecular Properties

Compound Name2-methylpropyl N-hydroxycarbamate
PubChem CID22467
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name2-methylpropyl N-hydroxycarbamate
SMILESCC(C)COC(=O)NO
InChIInChI=1S/C5H11NO3/c1-4(2)3-9-5(7)6-8/h4,8H,3H2,1-2H3,(H,6,7)
InChIKeyITJIAVPHDOKGHM-UHFFFAOYSA-N
XLogP0.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
2-methylpropyl N-ethoxycarbamate
CID 115575426
2-methylpropyl N-(2-hydroxypropyl)carbamate
CID 43427881
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
2-methylpropyl N-[dimethyl(sulfanyl)-λ4-sulfanyl]carbamate
CID 146227835
2-methylpropyl N-(2-methylprop-1-enyl)carbamate
CID 174609096
2-methylpropyl N-(2-hydrazinylhydrazinyl)carbamate
CID 59037588
2-methylpropyl N-[2-(methylamino)ethyl]carbamate
CID 62658921
2-methylpropyl N-ethylsulfanylcarbamate
CID 175564979
2-methylpropyl N-(2,2-dimethylpropyl)carbamate
CID 88893905
2-methylpropyl N-(3-amino-2-methylpropyl)carbamate
CID 62665542

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-hydroxycarbamate?
The IUPAC name of 2-methylpropyl N-hydroxycarbamate (CID 22467) is 2-methylpropyl N-hydroxycarbamate.
What is the SMILES notation for 2-methylpropyl N-hydroxycarbamate?
The canonical SMILES for 2-methylpropyl N-hydroxycarbamate is CC(C)COC(=O)NO.
What is the InChIKey of 2-methylpropyl N-hydroxycarbamate?
The InChIKey is ITJIAVPHDOKGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-4(2)3-9-5(7)6-8/h4,8H,3H2,1-2H3,(H,6,7).
What are the key properties of 2-methylpropyl N-hydroxycarbamate?
2-methylpropyl N-hydroxycarbamate has a molecular weight of 133.15 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-hydroxycarbamate is sourced from PubChem (CID 22467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).