methyl (2S)-2-(tert-butylamino)-4-methylpentanoate

C11H23NO2 — CID 54295035

IUPACmethyl (2S)-2-(tert-butylamino)-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)7-9(10(13)14-6)12-11(3,4)5/h8-9,12H,7H2,1-6H3/t9-/m0/s1
InChIKeySAEXTXCBGAWICG-VIFPVBQESA-N
MW201.31 g/mol
LogP1.96
Rot. Bonds4

About methyl (2S)-2-(tert-butylamino)-4-methylpentanoate

methyl (2S)-2-(tert-butylamino)-4-methylpentanoate (PubChem CID 54295035) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl (2S)-2-(tert-butylamino)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(tert-butylamino)-4-methylpentanoate
PubChem CID54295035
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl (2S)-2-(tert-butylamino)-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)7-9(10(13)14-6)12-11(3,4)5/h8-9,12H,7H2,1-6H3/t9-/m0/s1
InChIKeySAEXTXCBGAWICG-VIFPVBQESA-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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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(tert-butylamino)-4-methylpentanoate?
The IUPAC name of methyl (2S)-2-(tert-butylamino)-4-methylpentanoate (CID 54295035) is methyl (2S)-2-(tert-butylamino)-4-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-(tert-butylamino)-4-methylpentanoate?
The canonical SMILES for methyl (2S)-2-(tert-butylamino)-4-methylpentanoate is COC(=O)[C@H](CC(C)C)NC(C)(C)C.
What is the InChIKey of methyl (2S)-2-(tert-butylamino)-4-methylpentanoate?
The InChIKey is SAEXTXCBGAWICG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)7-9(10(13)14-6)12-11(3,4)5/h8-9,12H,7H2,1-6H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-(tert-butylamino)-4-methylpentanoate?
methyl (2S)-2-(tert-butylamino)-4-methylpentanoate 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 methyl (2S)-2-(tert-butylamino)-4-methylpentanoate is sourced from PubChem (CID 54295035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).