tert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen

C17H37NO4 — CID 178159968

IUPACtert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen
SMILESCC.CC1(CNC(=O)OC(C)(C)C)CC1.COC(=O)C(C)C.[H][H]
InChIInChI=1S/C10H19NO2.C5H10O2.C2H6.H2/c1-9(2,3)13-8(12)11-7-10(4)5-6-10;1-4(2)5(6)7-3;1-2;/h5-7H2,1-4H3,(H,11,12);4H,1-3H3;1-2H3;1H
InChIKeyJRNQMXLWGVPROP-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.40
Rot. Bonds3

About tert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen

tert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen (PubChem CID 178159968) has the molecular formula C17H37NO4 and a molecular weight of 319.49 g/mol. Its IUPAC name is tert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen
PubChem CID178159968
Molecular FormulaC17H37NO4
Molecular Weight319.49 g/mol
Exact Mass319.27
IUPAC Nametert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen
SMILESCC.CC1(CNC(=O)OC(C)(C)C)CC1.COC(=O)C(C)C.[H][H]
InChIInChI=1S/C10H19NO2.C5H10O2.C2H6.H2/c1-9(2,3)13-8(12)11-7-10(4)5-6-10;1-4(2)5(6)7-3;1-2;/h5-7H2,1-4H3,(H,11,12);4H,1-3H3;1-2H3;1H
InChIKeyJRNQMXLWGVPROP-UHFFFAOYSA-N
XLogP4.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate
CID 175627299
tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
CID 105468024
tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate
CID 117274696
tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride
CID 118998436
tert-butyl N-[[4-(2-azidoacetyl)-4-ethyl-1-methylcyclohexyl]methyl]carbamate
CID 175627767
methyl 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 170380400
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoate
CID 22737584
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
methyl 2-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 103493270
tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate
CID 119032070
tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate
CID 140958930
methyl 1-[[[1-[[[1-[[[1-[[[1-[[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylate
CID 100993658

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen?
The IUPAC name of tert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen (CID 178159968) is tert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen.
What is the SMILES notation for tert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen?
The canonical SMILES for tert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen is CC.CC1(CNC(=O)OC(C)(C)C)CC1.COC(=O)C(C)C.[H][H].
What is the InChIKey of tert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen?
The InChIKey is JRNQMXLWGVPROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C5H10O2.C2H6.H2/c1-9(2,3)13-8(12)11-7-10(4)5-6-10;1-4(2)5(6)7-3;1-2;/h5-7H2,1-4H3,(H,11,12);4H,1-3H3;1-2H3;1H.
What are the key properties of tert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen?
tert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen has a molecular weight of 319.49 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen is sourced from PubChem (CID 178159968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).