tert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate

C11H19NO3 — CID 137364869

IUPACtert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C=O)C1CCC1
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-9(7-13)8-5-4-6-8/h7-9H,4-6H2,1-3H3,(H,12,14)/t9-/m1/s1
InChIKeyLPXIUIAFGDAAEL-SECBINFHSA-N
MW213.28 g/mol
LogP1.88
Rot. Bonds3

About tert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate

tert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate (PubChem CID 137364869) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate
PubChem CID137364869
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C=O)C1CCC1
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-9(7-13)8-5-4-6-8/h7-9H,4-6H2,1-3H3,(H,12,14)/t9-/m1/s1
InChIKeyLPXIUIAFGDAAEL-SECBINFHSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1R)-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate
CID 98010402
tert-butyl N-[(1S)-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate
CID 98010403
tert-butyl (Z)-4-cyclopentyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 175389662
methyl 4-cyclohexyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 67023505
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-oxoethyl]amino]-3-(2-methylphenyl)-1-oxopropan-2-yl]carbamate
CID 173301574
tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate
CID 51669789
tert-butyl (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101268797
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
tert-butyl N-[(1S)-1-cyclopentyl-2-fluoro-2-oxoethyl]carbamate
CID 87401436
tert-butyl N-[(2S)-1-[[(2S)-1-[[(1S)-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 15601556
tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate
CID 175433446

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate (CID 137364869) is tert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate is CC(C)(C)OC(=O)N[C@H](C=O)C1CCC1.
What is the InChIKey of tert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate?
The InChIKey is LPXIUIAFGDAAEL-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-9(7-13)8-5-4-6-8/h7-9H,4-6H2,1-3H3,(H,12,14)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate?
tert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-cyclobutyl-2-oxoethyl]carbamate is sourced from PubChem (CID 137364869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).