tert-butyl (3R)-3-(cyclohexylamino)butanoate

C14H27NO2 — CID 157049067

IUPACtert-butyl (3R)-3-(cyclohexylamino)butanoate
SMILESC[C@H](CC(=O)OC(C)(C)C)NC1CCCCC1
InChIInChI=1S/C14H27NO2/c1-11(10-13(16)17-14(2,3)4)15-12-8-6-5-7-9-12/h11-12,15H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyROWAELDGSVSYTL-LLVKDONJSA-N
MW241.37 g/mol
LogP3.03
Rot. Bonds4

About tert-butyl (3R)-3-(cyclohexylamino)butanoate

tert-butyl (3R)-3-(cyclohexylamino)butanoate (PubChem CID 157049067) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl (3R)-3-(cyclohexylamino)butanoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(cyclohexylamino)butanoate
PubChem CID157049067
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl (3R)-3-(cyclohexylamino)butanoate
SMILESC[C@H](CC(=O)OC(C)(C)C)NC1CCCCC1
InChIInChI=1S/C14H27NO2/c1-11(10-13(16)17-14(2,3)4)15-12-8-6-5-7-9-12/h11-12,15H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyROWAELDGSVSYTL-LLVKDONJSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-O-tert-butyl 1-O-methyl 2-(cyclopentylamino)butanedioate
CID 66586456
4-O-tert-butyl 1-O-methyl (2R)-2-(cyclopentylamino)butanedioate
CID 66586454
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl (3S)-4-(cyclopentylamino)-3-methyl-4-oxobutanoate;sulfur trioxide
CID 162157432
tert-butyl 3-(4-cyclohexylbutylamino)butanoate
CID 159078132
tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate
CID 69113828
tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate
CID 81386235
tert-butyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81384159
tert-butyl (2S)-2-(cyclobutylamino)propanoate
CID 57051933
tert-butyl 2-(cyclobutylamino)propanoate
CID 66339057
tert-butyl-[2-(cyclopentylamino)propyl]carbamic acid
CID 67085177
tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
CID 107252262

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(cyclohexylamino)butanoate?
The IUPAC name of tert-butyl (3R)-3-(cyclohexylamino)butanoate (CID 157049067) is tert-butyl (3R)-3-(cyclohexylamino)butanoate.
What is the SMILES notation for tert-butyl (3R)-3-(cyclohexylamino)butanoate?
The canonical SMILES for tert-butyl (3R)-3-(cyclohexylamino)butanoate is C[C@H](CC(=O)OC(C)(C)C)NC1CCCCC1.
What is the InChIKey of tert-butyl (3R)-3-(cyclohexylamino)butanoate?
The InChIKey is ROWAELDGSVSYTL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(10-13(16)17-14(2,3)4)15-12-8-6-5-7-9-12/h11-12,15H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(cyclohexylamino)butanoate?
tert-butyl (3R)-3-(cyclohexylamino)butanoate has a molecular weight of 241.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(cyclohexylamino)butanoate is sourced from PubChem (CID 157049067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).