tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate

C15H27NO3 — CID 106706920

IUPACtert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)NCC1CCCCC1
InChIInChI=1S/C15H27NO3/c1-15(2,3)19-14(18)10-9-13(17)16-11-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyBEUKYDJZHYHLOD-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.80
Rot. Bonds5

About tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate

tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate (PubChem CID 106706920) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate
PubChem CID106706920
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)NCC1CCCCC1
InChIInChI=1S/C15H27NO3/c1-15(2,3)19-14(18)10-9-13(17)16-11-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyBEUKYDJZHYHLOD-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-4-oxopentanamide
CID 60637241
tert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate
CID 106707456
tert-butyl 4-(ethylamino)-4-oxobutanoate
CID 106706793
tert-butyl 4-(cyclobutylamino)-4-oxobutanoate
CID 106707367
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604798
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106707567
tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate
CID 108902696
N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide
CID 106124035
tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate
CID 106707401
[4-[2-(cyclononylmethylamino)-2-oxoethyl]phenyl]methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 142089370

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate?
The IUPAC name of tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate (CID 106706920) is tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate is CC(C)(C)OC(=O)CCC(=O)NCC1CCCCC1.
What is the InChIKey of tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate?
The InChIKey is BEUKYDJZHYHLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-15(2,3)19-14(18)10-9-13(17)16-11-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate?
tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate has a molecular weight of 269.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate is sourced from PubChem (CID 106706920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).