tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate

C12H23NO4 — CID 87525206

IUPACtert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate
SMILESCCC(C)CN(C(=O)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO4/c1-7-9(2)8-13(10(14)16-6)11(15)17-12(3,4)5/h9H,7-8H2,1-6H3
InChIKeyCOMVAASDVSPZRM-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.04
Rot. Bonds3

About tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate

tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate (PubChem CID 87525206) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate
PubChem CID87525206
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nametert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate
SMILESCCC(C)CN(C(=O)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO4/c1-7-9(2)8-13(10(14)16-6)11(15)17-12(3,4)5/h9H,7-8H2,1-6H3
InChIKeyCOMVAASDVSPZRM-UHFFFAOYSA-N
XLogP3.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-[(3R)-4-hydroxy-3-methylbutyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 88904676
methyl (2S,3S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylpentanoate
CID 101154678
methyl (3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate
CID 10659864
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
tert-butyl (3R)-3-methylpentanoate
CID 158245009
(2S,4S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid
CID 10467743
tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate
CID 87532205
tert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate
CID 155937072
methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propanoate
CID 156850157
tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene
CID 143879621
methyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylbutanoate
CID 89026168

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate?
The IUPAC name of tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate (CID 87525206) is tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate?
The canonical SMILES for tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate is CCC(C)CN(C(=O)OC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate?
The InChIKey is COMVAASDVSPZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-7-9(2)8-13(10(14)16-6)11(15)17-12(3,4)5/h9H,7-8H2,1-6H3.
What are the key properties of tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate?
tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate has a molecular weight of 245.32 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate is sourced from PubChem (CID 87525206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).