tert-butyl (3R)-3-amino-5-methylhexanoate

C11H23NO2 — CID 2733825

IUPACtert-butyl (3R)-3-amino-5-methylhexanoate
SMILESCC(C)C[C@@H](N)CC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)6-9(12)7-10(13)14-11(3,4)5/h8-9H,6-7,12H2,1-5H3/t9-/m1/s1
InChIKeyWBOPVTYXLFEVGP-SECBINFHSA-N
MW201.31 g/mol
LogP2.09
Rot. Bonds4

About tert-butyl (3R)-3-amino-5-methylhexanoate

tert-butyl (3R)-3-amino-5-methylhexanoate (PubChem CID 2733825) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is tert-butyl (3R)-3-amino-5-methylhexanoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-amino-5-methylhexanoate
PubChem CID2733825
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nametert-butyl (3R)-3-amino-5-methylhexanoate
SMILESCC(C)C[C@@H](N)CC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)6-9(12)7-10(13)14-11(3,4)5/h8-9H,6-7,12H2,1-5H3/t9-/m1/s1
InChIKeyWBOPVTYXLFEVGP-SECBINFHSA-N
XLogP2.09
TPSA52.32 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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-amino-5-methylhexanoate?
The IUPAC name of tert-butyl (3R)-3-amino-5-methylhexanoate (CID 2733825) is tert-butyl (3R)-3-amino-5-methylhexanoate.
What is the SMILES notation for tert-butyl (3R)-3-amino-5-methylhexanoate?
The canonical SMILES for tert-butyl (3R)-3-amino-5-methylhexanoate is CC(C)C[C@@H](N)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R)-3-amino-5-methylhexanoate?
The InChIKey is WBOPVTYXLFEVGP-SECBINFHSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)6-9(12)7-10(13)14-11(3,4)5/h8-9H,6-7,12H2,1-5H3/t9-/m1/s1.
What are the key properties of tert-butyl (3R)-3-amino-5-methylhexanoate?
tert-butyl (3R)-3-amino-5-methylhexanoate has a molecular weight of 201.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-amino-5-methylhexanoate is sourced from PubChem (CID 2733825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).