tert-butyl 2-methyl-3-(2-methylpropylamino)propanoate

C12H25NO2 — CID 46318547

IUPACtert-butyl 2-methyl-3-(2-methylpropylamino)propanoate
SMILESCC(C)CNCC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)7-13-8-10(3)11(14)15-12(4,5)6/h9-10,13H,7-8H2,1-6H3
InChIKeyYSMXRFSECCIZNS-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.21
Rot. Bonds5

About tert-butyl 2-methyl-3-(2-methylpropylamino)propanoate

tert-butyl 2-methyl-3-(2-methylpropylamino)propanoate (PubChem CID 46318547) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is tert-butyl 2-methyl-3-(2-methylpropylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 2-methyl-3-(2-methylpropylamino)propanoate
PubChem CID46318547
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nametert-butyl 2-methyl-3-(2-methylpropylamino)propanoate
SMILESCC(C)CNCC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)7-13-8-10(3)11(14)15-12(4,5)6/h9-10,13H,7-8H2,1-6H3
InChIKeyYSMXRFSECCIZNS-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-3-(2-methylpropylamino)propanoate?
The IUPAC name of tert-butyl 2-methyl-3-(2-methylpropylamino)propanoate (CID 46318547) is tert-butyl 2-methyl-3-(2-methylpropylamino)propanoate.
What is the SMILES notation for tert-butyl 2-methyl-3-(2-methylpropylamino)propanoate?
The canonical SMILES for tert-butyl 2-methyl-3-(2-methylpropylamino)propanoate is CC(C)CNCC(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-3-(2-methylpropylamino)propanoate?
The InChIKey is YSMXRFSECCIZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)7-13-8-10(3)11(14)15-12(4,5)6/h9-10,13H,7-8H2,1-6H3.
What are the key properties of tert-butyl 2-methyl-3-(2-methylpropylamino)propanoate?
tert-butyl 2-methyl-3-(2-methylpropylamino)propanoate has a molecular weight of 215.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-3-(2-methylpropylamino)propanoate is sourced from PubChem (CID 46318547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).