tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate

C15H29NO2 — CID 70327629

IUPACtert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
SMILESCC[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-5-13(11-12-9-7-6-8-10-12)16-14(17)18-15(2,3)4/h12-13H,5-11H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeySKIPGYLAJWDBBC-CYBMUJFWSA-N
MW255.40 g/mol
LogP4.26
Rot. Bonds4

About tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate

tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate (PubChem CID 70327629) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
PubChem CID70327629
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nametert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
SMILESCC[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-5-13(11-12-9-7-6-8-10-12)16-14(17)18-15(2,3)4/h12-13H,5-11H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeySKIPGYLAJWDBBC-CYBMUJFWSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 20814414
tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
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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-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate
CID 51669789
tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate
CID 107250560
(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
methyl 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 4264602
tert-butyl N-[3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 68714876
tert-butyl N-[(2S,4S,5R)-1-cyclohexyl-4-hydroxy-5-propan-2-ylhept-6-en-2-yl]carbamate
CID 56988028
tert-butyl N-[(2S)-4-chloro-1-cyclohexyl-3-oxobutan-2-yl]carbamate
CID 10063585

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate (CID 70327629) is tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate is CC[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate?
The InChIKey is SKIPGYLAJWDBBC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-13(11-12-9-7-6-8-10-12)16-14(17)18-15(2,3)4/h12-13H,5-11H2,1-4H3,(H,16,17)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate?
tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate has a molecular weight of 255.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate is sourced from PubChem (CID 70327629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).