tert-butyl N-[(2-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate

C12H21NO3 — CID 139293232

IUPACtert-butyl N-[(2-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate
SMILESCC1CC1CN(CC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO3/c1-9-7-10(9)8-13(5-6-14)11(15)16-12(2,3)4/h6,9-10H,5,7-8H2,1-4H3
InChIKeyCUCNRJDMISBFLN-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.08
Rot. Bonds4

About tert-butyl N-[(2-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate

tert-butyl N-[(2-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate (PubChem CID 139293232) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl N-[(2-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate
PubChem CID139293232
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl N-[(2-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate
SMILESCC1CC1CN(CC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO3/c1-9-7-10(9)8-13(5-6-14)11(15)16-12(2,3)4/h6,9-10H,5,7-8H2,1-4H3
InChIKeyCUCNRJDMISBFLN-UHFFFAOYSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate;methane
CID 143848647
tert-butyl N-ethyl-N-[(4-methylpyrrolidin-3-yl)methyl]carbamate;ethane
CID 144770393
ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]propanoate
CID 130281670
tert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate
CID 165471531
tert-butyl N-(2-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 554102
tert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate
CID 106707461
acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017
tert-butyl N,N-bis(prop-2-ynyl)carbamate;methane;N-prop-2-ynylprop-2-yn-1-amine
CID 158412865
tert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate
CID 132851274
4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid
CID 91152983
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate
CID 10665354
tert-butyl N-amino-N-[2-[cyclopentyl(2-oxoethyl)amino]-2-oxoacetyl]carbamate
CID 173049218

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate?
The IUPAC name of tert-butyl N-[(2-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate (CID 139293232) is tert-butyl N-[(2-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate?
The canonical SMILES for tert-butyl N-[(2-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate is CC1CC1CN(CC=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate?
The InChIKey is CUCNRJDMISBFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9-7-10(9)8-13(5-6-14)11(15)16-12(2,3)4/h6,9-10H,5,7-8H2,1-4H3.
What are the key properties of tert-butyl N-[(2-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate?
tert-butyl N-[(2-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate has a molecular weight of 227.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate is sourced from PubChem (CID 139293232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).