methyl N-(2-tert-butylcyclopropyl)carbamate

C9H17NO2 — CID 176792814

IUPACmethyl N-(2-tert-butylcyclopropyl)carbamate
SMILESCOC(=O)NC1CC1C(C)(C)C
InChIInChI=1S/C9H17NO2/c1-9(2,3)6-5-7(6)10-8(11)12-4/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyKSLOVMDPCFJSLZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.78
Rot. Bonds1

About methyl N-(2-tert-butylcyclopropyl)carbamate

methyl N-(2-tert-butylcyclopropyl)carbamate (PubChem CID 176792814) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl N-(2-tert-butylcyclopropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-tert-butylcyclopropyl)carbamate
PubChem CID176792814
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl N-(2-tert-butylcyclopropyl)carbamate
SMILESCOC(=O)NC1CC1C(C)(C)C
InChIInChI=1S/C9H17NO2/c1-9(2,3)6-5-7(6)10-8(11)12-4/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyKSLOVMDPCFJSLZ-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate
CID 126970282
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 84654598
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate
CID 121207555
methyl N-(4-tert-butylcyclohexyl)carbamate
CID 58394494
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
methyl (1S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 2734526
trans-methyl (3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 142048047
methyl N-[(1R,6R)-6-iodocyclohex-3-en-1-yl]carbamate
CID 90482110
methyl (1R,3R,4R)-3-formyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 102054686

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-tert-butylcyclopropyl)carbamate?
The IUPAC name of methyl N-(2-tert-butylcyclopropyl)carbamate (CID 176792814) is methyl N-(2-tert-butylcyclopropyl)carbamate.
What is the SMILES notation for methyl N-(2-tert-butylcyclopropyl)carbamate?
The canonical SMILES for methyl N-(2-tert-butylcyclopropyl)carbamate is COC(=O)NC1CC1C(C)(C)C.
What is the InChIKey of methyl N-(2-tert-butylcyclopropyl)carbamate?
The InChIKey is KSLOVMDPCFJSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,3)6-5-7(6)10-8(11)12-4/h6-7H,5H2,1-4H3,(H,10,11).
What are the key properties of methyl N-(2-tert-butylcyclopropyl)carbamate?
methyl N-(2-tert-butylcyclopropyl)carbamate has a molecular weight of 171.24 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-tert-butylcyclopropyl)carbamate is sourced from PubChem (CID 176792814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).