tert-butyl N-[2-[1-(2-methyl-3-oxobutyl)cyclopropyl]ethyl]carbamate

C15H27NO3 — CID 166763247

IUPACtert-butyl N-[2-[1-(2-methyl-3-oxobutyl)cyclopropyl]ethyl]carbamate
SMILESCC(=O)C(C)CC1(CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-11(12(2)17)10-15(6-7-15)8-9-16-13(18)19-14(3,4)5/h11H,6-10H2,1-5H3,(H,16,18)
InChIKeyMDHDRTKFPDNYLM-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.30
Rot. Bonds6

About tert-butyl N-[2-[1-(2-methyl-3-oxobutyl)cyclopropyl]ethyl]carbamate

tert-butyl N-[2-[1-(2-methyl-3-oxobutyl)cyclopropyl]ethyl]carbamate (PubChem CID 166763247) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2-methyl-3-oxobutyl)cyclopropyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2-methyl-3-oxobutyl)cyclopropyl]ethyl]carbamate
PubChem CID166763247
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl N-[2-[1-(2-methyl-3-oxobutyl)cyclopropyl]ethyl]carbamate
SMILESCC(=O)C(C)CC1(CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-11(12(2)17)10-15(6-7-15)8-9-16-13(18)19-14(3,4)5/h11H,6-10H2,1-5H3,(H,16,18)
InChIKeyMDHDRTKFPDNYLM-UHFFFAOYSA-N
XLogP3.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(4S)-4-methyl-5-oxohexyl]carbamate
CID 168910124
tert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate
CID 84703390
[(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid
CID 146629734
tert-butyl N-[4-methyl-3,3-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentyl]carbamate
CID 155196466
tert-butyl N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]carbamate
CID 115671394
tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate
CID 103735451
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate
CID 103821958
tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate
CID 105467938
tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 16743802
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297
ethyl (2S)-3-[1-(hydroxymethyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 130322746

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2-methyl-3-oxobutyl)cyclopropyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2-methyl-3-oxobutyl)cyclopropyl]ethyl]carbamate (CID 166763247) is tert-butyl N-[2-[1-(2-methyl-3-oxobutyl)cyclopropyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2-methyl-3-oxobutyl)cyclopropyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2-methyl-3-oxobutyl)cyclopropyl]ethyl]carbamate is CC(=O)C(C)CC1(CCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[1-(2-methyl-3-oxobutyl)cyclopropyl]ethyl]carbamate?
The InChIKey is MDHDRTKFPDNYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11(12(2)17)10-15(6-7-15)8-9-16-13(18)19-14(3,4)5/h11H,6-10H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[2-[1-(2-methyl-3-oxobutyl)cyclopropyl]ethyl]carbamate?
tert-butyl N-[2-[1-(2-methyl-3-oxobutyl)cyclopropyl]ethyl]carbamate has a molecular weight of 269.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(2-methyl-3-oxobutyl)cyclopropyl]ethyl]carbamate is sourced from PubChem (CID 166763247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).