tert-butyl N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]carbamate

C17H25NO3 — CID 70826140

IUPACtert-butyl N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@]1(C)CCC1OCc1ccccc1
InChIInChI=1S/C17H25NO3/c1-16(2,3)21-15(19)18-17(4)11-10-14(17)20-12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,18,19)/t14?,17-/m0/s1
InChIKeyNKNVQOSEVHVACZ-JRZJBTRGSA-N
MW291.39 g/mol
LogP3.65
Rot. Bonds4

About tert-butyl N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]carbamate

tert-butyl N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]carbamate (PubChem CID 70826140) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]carbamate
PubChem CID70826140
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@]1(C)CCC1OCc1ccccc1
InChIInChI=1S/C17H25NO3/c1-16(2,3)21-15(19)18-17(4)11-10-14(17)20-12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,18,19)/t14?,17-/m0/s1
InChIKeyNKNVQOSEVHVACZ-JRZJBTRGSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxycyclopropane-1-carboxylic acid
CID 143333229
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylic acid
CID 67995569
benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[2.2.2]octanyl]carbamate
CID 135397622
tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate
CID 10934734
tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate
CID 118177257
trans-benzyl (1S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 15431586
1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310
tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate
CID 58216148
benzyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 19691286
tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate
CID 166168690
trans-benzyl (1S,2S)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 11023608
trans-methyl (1R,2S)-2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
CID 129418493

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]carbamate (CID 70826140) is tert-butyl N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]carbamate is CC(C)(C)OC(=O)N[C@@]1(C)CCC1OCc1ccccc1.
What is the InChIKey of tert-butyl N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]carbamate?
The InChIKey is NKNVQOSEVHVACZ-JRZJBTRGSA-N. The full InChI is InChI=1S/C17H25NO3/c1-16(2,3)21-15(19)18-17(4)11-10-14(17)20-12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,18,19)/t14?,17-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]carbamate?
tert-butyl N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]carbamate has a molecular weight of 291.39 g/mol, XLogP of 3.65, 4 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-methyl-2-phenylmethoxycyclobutyl]carbamate is sourced from PubChem (CID 70826140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).