methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate

C9H18N2O4 — CID 47407232

IUPACmethyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCONC(=O)C(CC(C)C)NC(=O)OC
InChIInChI=1S/C9H18N2O4/c1-6(2)5-7(8(12)11-15-4)10-9(13)14-3/h6-7H,5H2,1-4H3,(H,10,13)(H,11,12)
InChIKeyJBUKDHUAAYVANJ-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.43
Rot. Bonds5

About methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate

methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 47407232) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID47407232
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Namemethyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCONC(=O)C(CC(C)C)NC(=O)OC
InChIInChI=1S/C9H18N2O4/c1-6(2)5-7(8(12)11-15-4)10-9(13)14-3/h6-7H,5H2,1-4H3,(H,10,13)(H,11,12)
InChIKeyJBUKDHUAAYVANJ-UHFFFAOYSA-N
XLogP0.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate 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

tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 23388437
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
methyl N-(5-methyl-2-oxohexan-3-yl)carbamate
CID 76748029
ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 89138775
methyl N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]carbamate
CID 59450088
methyl N-(1-bromo-5-methyl-2-oxohexan-3-yl)carbamate
CID 104700674
methyl N-[(2R)-1-(methoxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10682227
methyl N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]carbamate;sulfane
CID 158339082
4-methylpentyl 2-(methoxycarbonylamino)-4-methylpentanoate
CID 6423220
methyl N-(4-methylpentan-2-yl)carbamate
CID 88914319
methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate
CID 14463277
decyl 2-(methoxycarbonylamino)-4-methylpentanoate
CID 6423225

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate (CID 47407232) is methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate is CONC(=O)C(CC(C)C)NC(=O)OC.
What is the InChIKey of methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is JBUKDHUAAYVANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-6(2)5-7(8(12)11-15-4)10-9(13)14-3/h6-7H,5H2,1-4H3,(H,10,13)(H,11,12).
What are the key properties of methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate?
methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 218.25 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 47407232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).