tert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate

C14H25NO3 — CID 165470962

IUPACtert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate
SMILESCC1(C)CC(CC(=O)CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-9-11(16)6-10-7-14(4,5)8-10/h10H,6-9H2,1-5H3,(H,15,17)
InChIKeyXRIIRDTZOVTHNS-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.91
Rot. Bonds4

About tert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate

tert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate (PubChem CID 165470962) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate
PubChem CID165470962
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate
SMILESCC1(C)CC(CC(=O)CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-9-11(16)6-10-7-14(4,5)8-10/h10H,6-9H2,1-5H3,(H,15,17)
InChIKeyXRIIRDTZOVTHNS-UHFFFAOYSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
CID 105468024
tert-butyl N-(3-bromo-2-oxopropyl)carbamate
CID 53439192
tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate
CID 121388239
tert-butyl N-[2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-oxoethyl]carbamate
CID 102109948
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
methyl 2-(3,3-dimethylcyclobutyl)acetate
CID 15457661
methyl 3-(3,3-dimethylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 163244794
tert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate
CID 165464358
(2S,3S)-2-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]pyrrolidine-1-carboxylic acid
CID 66614397
tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 86647903
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate (CID 165470962) is tert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate is CC1(C)CC(CC(=O)CNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate?
The InChIKey is XRIIRDTZOVTHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-9-11(16)6-10-7-14(4,5)8-10/h10H,6-9H2,1-5H3,(H,15,17).
What are the key properties of tert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate?
tert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate has a molecular weight of 255.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate is sourced from PubChem (CID 165470962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).