tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate

C14H29NO2 — CID 115590841

IUPACtert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate
SMILESCC(C)CC(C)N(C)CCC(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-11(2)10-12(3)15(7)9-8-13(16)17-14(4,5)6/h11-12H,8-10H2,1-7H3
InChIKeyREZDHMIIQONKLS-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.08
Rot. Bonds6

About tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate

tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate (PubChem CID 115590841) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate
PubChem CID115590841
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Nametert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate
SMILESCC(C)CC(C)N(C)CCC(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-11(2)10-12(3)15(7)9-8-13(16)17-14(4,5)6/h11-12H,8-10H2,1-7H3
InChIKeyREZDHMIIQONKLS-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[bis(2-methylpropyl)amino]propanoate
CID 113226672
tert-butyl 4-methylpentanoate
CID 14724205
tert-butyl 3-[1-(4-chlorophenyl)ethyl-methylamino]propanoate
CID 115590823
2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid
CID 65248118
tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate
CID 103249343
tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate
CID 115685980
tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate
CID 115590874
tert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate
CID 106707208
tert-butyl 3-[1-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 174810655
tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate
CID 103268735
tert-butyl 3-[cyclopropyl(methyl)amino]propanoate
CID 115590859
tert-butyl 4-[methyl(propyl)amino]-4-oxobutanoate
CID 106707015

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate?
The IUPAC name of tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate (CID 115590841) is tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate is CC(C)CC(C)N(C)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate?
The InChIKey is REZDHMIIQONKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-11(2)10-12(3)15(7)9-8-13(16)17-14(4,5)6/h11-12H,8-10H2,1-7H3.
What are the key properties of tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate?
tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate has a molecular weight of 243.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate is sourced from PubChem (CID 115590841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).