tert-butyl 3-[bis(2-methylpropyl)amino]propanoate

C15H31NO2 — CID 113226672

IUPACtert-butyl 3-[bis(2-methylpropyl)amino]propanoate
SMILESCC(C)CN(CCC(=O)OC(C)(C)C)CC(C)C
InChIInChI=1S/C15H31NO2/c1-12(2)10-16(11-13(3)4)9-8-14(17)18-15(5,6)7/h12-13H,8-11H2,1-7H3
InChIKeyZOTGMQCNLYDZMH-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.33
Rot. Bonds7

About tert-butyl 3-[bis(2-methylpropyl)amino]propanoate

tert-butyl 3-[bis(2-methylpropyl)amino]propanoate (PubChem CID 113226672) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is tert-butyl 3-[bis(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[bis(2-methylpropyl)amino]propanoate
PubChem CID113226672
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Nametert-butyl 3-[bis(2-methylpropyl)amino]propanoate
SMILESCC(C)CN(CCC(=O)OC(C)(C)C)CC(C)C
InChIInChI=1S/C15H31NO2/c1-12(2)10-16(11-13(3)4)9-8-14(17)18-15(5,6)7/h12-13H,8-11H2,1-7H3
InChIKeyZOTGMQCNLYDZMH-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-methylpentanoate
CID 14724205
tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate
CID 115590841
tert-butyl 3-[bis(cyanomethyl)amino]propanoate
CID 116662798
tert-butyl 3-[2-aminoethyl-(2-oxo-2-propan-2-yloxyethyl)amino]propanoate
CID 143969988
tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate
CID 115685980
tert-butyl 3-[1-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 174810655
ditert-butyl pentanedioate
CID 3016405
tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate
CID 115590874
tert-butyl 3-[2-cyanoethyl(ethyl)amino]propanoate
CID 115669561
tert-butyl 4-(diethylamino)butanoate
CID 122660980
ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate
CID 10515446
tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate
CID 65142781

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[bis(2-methylpropyl)amino]propanoate?
The IUPAC name of tert-butyl 3-[bis(2-methylpropyl)amino]propanoate (CID 113226672) is tert-butyl 3-[bis(2-methylpropyl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[bis(2-methylpropyl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[bis(2-methylpropyl)amino]propanoate is CC(C)CN(CCC(=O)OC(C)(C)C)CC(C)C.
What is the InChIKey of tert-butyl 3-[bis(2-methylpropyl)amino]propanoate?
The InChIKey is ZOTGMQCNLYDZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-12(2)10-16(11-13(3)4)9-8-14(17)18-15(5,6)7/h12-13H,8-11H2,1-7H3.
What are the key properties of tert-butyl 3-[bis(2-methylpropyl)amino]propanoate?
tert-butyl 3-[bis(2-methylpropyl)amino]propanoate has a molecular weight of 257.42 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[bis(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 113226672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).