tert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate

C12H23NO3 — CID 167733960

IUPACtert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate
SMILESCC(C)C(O)C1(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H23NO3/c1-8(2)9(14)12(6-7-12)13-10(15)16-11(3,4)5/h8-9,14H,6-7H2,1-5H3,(H,13,15)
InChIKeyCCDHKWQSLJHWDV-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.06
Rot. Bonds3

About tert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate

tert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate (PubChem CID 167733960) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate
PubChem CID167733960
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate
SMILESCC(C)C(O)C1(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H23NO3/c1-8(2)9(14)12(6-7-12)13-10(15)16-11(3,4)5/h8-9,14H,6-7H2,1-5H3,(H,13,15)
InChIKeyCCDHKWQSLJHWDV-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate
CID 20811777
tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate
CID 67385903
tert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate
CID 115047302
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
tert-butyl N-[4-(1-hydroxyethyl)oxepan-4-yl]carbamate
CID 170203824
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid
CID 164663917
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl N-(1-carbamothioylcyclopropyl)carbamate
CID 58431174
[2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate
CID 141155795
tert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate
CID 115052979
tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
CID 23292073
tert-butyl N-[(2S)-4-bromo-2-(1-hydroxyethyl)-1,3-dihydroinden-2-yl]carbamate
CID 58467242

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate (CID 167733960) is tert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate is CC(C)C(O)C1(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate?
The InChIKey is CCDHKWQSLJHWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8(2)9(14)12(6-7-12)13-10(15)16-11(3,4)5/h8-9,14H,6-7H2,1-5H3,(H,13,15).
What are the key properties of tert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate?
tert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate is sourced from PubChem (CID 167733960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).