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

C17H35NO2 — CID 107870355

IUPACtert-butyl 2-[bis(3-methylbutyl)amino]propanoate
SMILESCC(C)CCN(CCC(C)C)C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H35NO2/c1-13(2)9-11-18(12-10-14(3)4)15(5)16(19)20-17(6,7)8/h13-15H,9-12H2,1-8H3
InChIKeyXBNUFGAFMWANQD-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.11
Rot. Bonds8

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

tert-butyl 2-[bis(3-methylbutyl)amino]propanoate (PubChem CID 107870355) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is tert-butyl 2-[bis(3-methylbutyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[bis(3-methylbutyl)amino]propanoate
PubChem CID107870355
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Nametert-butyl 2-[bis(3-methylbutyl)amino]propanoate
SMILESCC(C)CCN(CCC(C)C)C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H35NO2/c1-13(2)9-11-18(12-10-14(3)4)15(5)16(19)20-17(6,7)8/h13-15H,9-12H2,1-8H3
InChIKeyXBNUFGAFMWANQD-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate
CID 66338147
tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64686559
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate
CID 117003967
tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate
CID 64688775
tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate
CID 64689549
tert-butyl 8-methyl-2-(4-methylpentyl)nonanoate
CID 172624569
tert-butyl 3-hydroxy-2,3,6-trimethylheptanoate
CID 66338731
tert-butyl 4-methylpentanoate
CID 14724205
tert-butyl 2-(3-methylbutylsulfonyl)propanoate
CID 107746791
tert-butyl (2S)-2-[iodo-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 171904778
2-O-tert-butyl 1-O-(3-methylbutyl) oxalate
CID 56996689

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[bis(3-methylbutyl)amino]propanoate?
The IUPAC name of tert-butyl 2-[bis(3-methylbutyl)amino]propanoate (CID 107870355) is tert-butyl 2-[bis(3-methylbutyl)amino]propanoate.
What is the SMILES notation for tert-butyl 2-[bis(3-methylbutyl)amino]propanoate?
The canonical SMILES for tert-butyl 2-[bis(3-methylbutyl)amino]propanoate is CC(C)CCN(CCC(C)C)C(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[bis(3-methylbutyl)amino]propanoate?
The InChIKey is XBNUFGAFMWANQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-13(2)9-11-18(12-10-14(3)4)15(5)16(19)20-17(6,7)8/h13-15H,9-12H2,1-8H3.
What are the key properties of tert-butyl 2-[bis(3-methylbutyl)amino]propanoate?
tert-butyl 2-[bis(3-methylbutyl)amino]propanoate has a molecular weight of 285.47 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[bis(3-methylbutyl)amino]propanoate is sourced from PubChem (CID 107870355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).