methyl (2S)-4-methyl-2-(methylamino)pentanoate

C8H17NO2 — CID 10921446

IUPACmethyl (2S)-4-methyl-2-(methylamino)pentanoate
SMILESCN[C@@H](CC(C)C)C(=O)OC
InChIInChI=1S/C8H17NO2/c1-6(2)5-7(9-3)8(10)11-4/h6-7,9H,5H2,1-4H3/t7-/m0/s1
InChIKeyNYXMJFGTJZTHPT-ZETCQYMHSA-N
MW159.23 g/mol
LogP0.79
Rot. Bonds4

About methyl (2S)-4-methyl-2-(methylamino)pentanoate

methyl (2S)-4-methyl-2-(methylamino)pentanoate (PubChem CID 10921446) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-(methylamino)pentanoate
PubChem CID10921446
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namemethyl (2S)-4-methyl-2-(methylamino)pentanoate
SMILESCN[C@@H](CC(C)C)C(=O)OC
InChIInChI=1S/C8H17NO2/c1-6(2)5-7(9-3)8(10)11-4/h6-7,9H,5H2,1-4H3/t7-/m0/s1
InChIKeyNYXMJFGTJZTHPT-ZETCQYMHSA-N
XLogP0.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-(methylamino)pentanoate?
The IUPAC name of methyl (2S)-4-methyl-2-(methylamino)pentanoate (CID 10921446) is methyl (2S)-4-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for methyl (2S)-4-methyl-2-(methylamino)pentanoate?
The canonical SMILES for methyl (2S)-4-methyl-2-(methylamino)pentanoate is CN[C@@H](CC(C)C)C(=O)OC.
What is the InChIKey of methyl (2S)-4-methyl-2-(methylamino)pentanoate?
The InChIKey is NYXMJFGTJZTHPT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)5-7(9-3)8(10)11-4/h6-7,9H,5H2,1-4H3/t7-/m0/s1.
What are the key properties of methyl (2S)-4-methyl-2-(methylamino)pentanoate?
methyl (2S)-4-methyl-2-(methylamino)pentanoate has a molecular weight of 159.23 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 10921446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).