methyl N-(2-methylpropanoyl)carbamate

C6H11NO3 — CID 59279110

IUPACmethyl N-(2-methylpropanoyl)carbamate
SMILESCOC(=O)NC(=O)C(C)C
InChIInChI=1S/C6H11NO3/c1-4(2)5(8)7-6(9)10-3/h4H,1-3H3,(H,7,8,9)
InChIKeyWCLXLZOPJQODCH-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.52
Rot. Bonds1

About methyl N-(2-methylpropanoyl)carbamate

methyl N-(2-methylpropanoyl)carbamate (PubChem CID 59279110) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl N-(2-methylpropanoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-methylpropanoyl)carbamate
PubChem CID59279110
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl N-(2-methylpropanoyl)carbamate
SMILESCOC(=O)NC(=O)C(C)C
InChIInChI=1S/C6H11NO3/c1-4(2)5(8)7-6(9)10-3/h4H,1-3H3,(H,7,8,9)
InChIKeyWCLXLZOPJQODCH-UHFFFAOYSA-N
XLogP0.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(2R)-2-chloropropanoyl]carbamate
CID 7130835
methyl N-[2-(methoxycarbonylamino)-3-methylbutanoyl]carbamate
CID 141273313
N-carbamoyl-2-methylpropanamide
CID 541584
methyl N-(3-methylbutan-2-yl)carbamate
CID 3614647
methyl N-[(3Z)-2-methylhexa-3,5-dien-3-yl]carbamate
CID 163468684
2-methyl-N-propanoylpropanamide
CID 13378668
2,2-dimethyl-N-(2-methylpropanoyl)propanamide
CID 130010818
ethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide
CID 143223997
methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate
CID 59264493
methyl N-(4-methyl-3-oxopentan-2-yl)carbamate
CID 59372534
methyl N-[(2S)-3-methyl-1-(3-methylbutan-2-ylamino)-1-oxobutan-2-yl]carbamate
CID 130457173
methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8754673

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methylpropanoyl)carbamate?
The IUPAC name of methyl N-(2-methylpropanoyl)carbamate (CID 59279110) is methyl N-(2-methylpropanoyl)carbamate.
What is the SMILES notation for methyl N-(2-methylpropanoyl)carbamate?
The canonical SMILES for methyl N-(2-methylpropanoyl)carbamate is COC(=O)NC(=O)C(C)C.
What is the InChIKey of methyl N-(2-methylpropanoyl)carbamate?
The InChIKey is WCLXLZOPJQODCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(2)5(8)7-6(9)10-3/h4H,1-3H3,(H,7,8,9).
What are the key properties of methyl N-(2-methylpropanoyl)carbamate?
methyl N-(2-methylpropanoyl)carbamate has a molecular weight of 145.16 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methylpropanoyl)carbamate is sourced from PubChem (CID 59279110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).