tert-butyl 2-(2-methylpropylamino)propanoate

C11H23NO2 — CID 64688335

IUPACtert-butyl 2-(2-methylpropylamino)propanoate
SMILESCC(C)CNC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)7-12-9(3)10(13)14-11(4,5)6/h8-9,12H,7H2,1-6H3
InChIKeyWAQIOGINWPXUEU-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.96
Rot. Bonds4

About tert-butyl 2-(2-methylpropylamino)propanoate

tert-butyl 2-(2-methylpropylamino)propanoate (PubChem CID 64688335) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is tert-butyl 2-(2-methylpropylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(2-methylpropylamino)propanoate
PubChem CID64688335
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nametert-butyl 2-(2-methylpropylamino)propanoate
SMILESCC(C)CNC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)7-12-9(3)10(13)14-11(4,5)6/h8-9,12H,7H2,1-6H3
InChIKeyWAQIOGINWPXUEU-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(2-aminoethylamino)propanoate
CID 66338502
tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate
CID 66337597
tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate
CID 102670947
tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate
CID 64687542
tert-butyl 2-(2-methylpropylamino)pentanoate
CID 75458085
tert-butyl (2S)-2-[[(2S,3S)-3-hydroxy-2-methylsulfanylhexyl]amino]propanoate
CID 102070017
tert-butyl 2-(pent-3-ynylamino)propanoate
CID 116643809
tert-butyl 2-(3-methylsulfanylpropylamino)propanoate
CID 64687943
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
tert-butyl 2-(methoxyamino)propanoate
CID 64688772
tert-butyl N-[3-amino-2-(2-methylpropylamino)-3-oxopropyl]carbamate
CID 102730720
tert-butyl 2-[(4-ethylcyclohexyl)methylamino]propanoate
CID 66338686

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methylpropylamino)propanoate?
The IUPAC name of tert-butyl 2-(2-methylpropylamino)propanoate (CID 64688335) is tert-butyl 2-(2-methylpropylamino)propanoate.
What is the SMILES notation for tert-butyl 2-(2-methylpropylamino)propanoate?
The canonical SMILES for tert-butyl 2-(2-methylpropylamino)propanoate is CC(C)CNC(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methylpropylamino)propanoate?
The InChIKey is WAQIOGINWPXUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)7-12-9(3)10(13)14-11(4,5)6/h8-9,12H,7H2,1-6H3.
What are the key properties of tert-butyl 2-(2-methylpropylamino)propanoate?
tert-butyl 2-(2-methylpropylamino)propanoate has a molecular weight of 201.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methylpropylamino)propanoate is sourced from PubChem (CID 64688335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).