tert-butyl (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate

C15H29NO2 — CID 125426263

IUPACtert-butyl (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]1(N)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-10(2)12-8-7-11(3)9-15(12,16)13(17)18-14(4,5)6/h10-12H,7-9,16H2,1-6H3/t11-,12+,15+/m1/s1
InChIKeyYCIQZPGSKLSLAT-XUJVJEKNSA-N
MW255.40 g/mol
LogP3.12
Rot. Bonds2

About tert-butyl (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate

tert-butyl (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate (PubChem CID 125426263) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is tert-butyl (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
PubChem CID125426263
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nametert-butyl (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]1(N)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-10(2)12-8-7-11(3)9-15(12,16)13(17)18-14(4,5)6/h10-12H,7-9,16H2,1-6H3/t11-,12+,15+/m1/s1
InChIKeyYCIQZPGSKLSLAT-XUJVJEKNSA-N
XLogP3.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491800
trans-tert-butyl (1S,2R)-1,2-diaminocyclopentane-1-carboxylate
CID 68828762
2-O'-tert-butyl 2-O-methyl (2R)-4-methylpiperidine-2,2-dicarboxylate
CID 18648443
cis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate
CID 68578844
tert-butyl (1R,3R,4R)-1-amino-3,4-dimethylcyclohexane-1-carboxylate
CID 125426362
methyl (2S)-4-methyl-2-[[(1S,2S,5R)-5-methyl-1-[[(2S)-4-methyl-2-[[(1S,2S,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylcyclohexanecarbonyl]amino]pentanoyl]amino]-2-propan-2-ylcyclohexanecarbonyl]amino]pentanoate
CID 177452192
ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 54918720
1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone
CID 142684025
trans-methyl (1S,2R)-1-amino-2-propan-2-ylcyclobutane-1-carboxylate
CID 129418531
ethyl 2-(1-carbamoyl-5-methyl-2-propan-2-ylcyclohexyl)acetate
CID 68627782
(1,5-dimethyl-2-propan-2-ylcyclohexyl) 2,2-dimethylbutanoate
CID 58602219
ethyl 5-methyl-2-propan-2-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 54918638

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate?
The IUPAC name of tert-butyl (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate (CID 125426263) is tert-butyl (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate.
What is the SMILES notation for tert-butyl (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate?
The canonical SMILES for tert-butyl (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate is CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate?
The InChIKey is YCIQZPGSKLSLAT-XUJVJEKNSA-N. The full InChI is InChI=1S/C15H29NO2/c1-10(2)12-8-7-11(3)9-15(12,16)13(17)18-14(4,5)6/h10-12H,7-9,16H2,1-6H3/t11-,12+,15+/m1/s1.
What are the key properties of tert-butyl (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate?
tert-butyl (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate has a molecular weight of 255.40 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 125426263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).