tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate

C12H23NO3 — CID 51669789

IUPACtert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)CC1CCC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10(8-14)7-9-5-4-6-9/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyYAYOAQZEBASQLZ-JTQLQIEISA-N
MW229.32 g/mol
LogP2.06
Rot. Bonds4

About tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate

tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate (PubChem CID 51669789) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate
PubChem CID51669789
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)CC1CCC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10(8-14)7-9-5-4-6-9/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyYAYOAQZEBASQLZ-JTQLQIEISA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
CID 59383028
tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
CID 70327629
(3R)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 20814414
tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate
CID 68715214
tert-butyl N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamate
CID 59382980
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
tert-butyl N-[3-cyclobutyl-1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 58987170
tert-butyl N-[(2S,4S,5R)-1-cyclohexyl-4-hydroxy-5-propan-2-ylhept-6-en-2-yl]carbamate
CID 56988028
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
tert-butyl N-[(2S,3S,4S,5S)-1,6-dicyclohexyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
CID 15093368
tert-butyl N-[1-cyclobutyl-3-(3-trimethylsilylpropoxymethoxy)propan-2-yl]carbamate
CID 90274253

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate (CID 51669789) is tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CO)CC1CCC1.
What is the InChIKey of tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate?
The InChIKey is YAYOAQZEBASQLZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10(8-14)7-9-5-4-6-9/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 51669789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).