methyl 2-[[(2S)-2-(dimethylamino)-4-methylpentanoyl]amino]acetate

C11H22N2O3 — CID 171904745

IUPACmethyl 2-[[(2S)-2-(dimethylamino)-4-methylpentanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@H](CC(C)C)N(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)6-9(13(3)4)11(15)12-7-10(14)16-5/h8-9H,6-7H2,1-5H3,(H,12,15)/t9-/m0/s1
InChIKeyZBXSFMAXDWYKHT-VIFPVBQESA-N
MW230.31 g/mol
LogP0.25
Rot. Bonds6

About methyl 2-[[(2S)-2-(dimethylamino)-4-methylpentanoyl]amino]acetate

methyl 2-[[(2S)-2-(dimethylamino)-4-methylpentanoyl]amino]acetate (PubChem CID 171904745) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-(dimethylamino)-4-methylpentanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-(dimethylamino)-4-methylpentanoyl]amino]acetate
PubChem CID171904745
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-[[(2S)-2-(dimethylamino)-4-methylpentanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@H](CC(C)C)N(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)6-9(13(3)4)11(15)12-7-10(14)16-5/h8-9H,6-7H2,1-5H3,(H,12,15)/t9-/m0/s1
InChIKeyZBXSFMAXDWYKHT-VIFPVBQESA-N
XLogP0.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-(dimethylamino)-4-methylpentanoyl]amino]acetate?
The IUPAC name of methyl 2-[[(2S)-2-(dimethylamino)-4-methylpentanoyl]amino]acetate (CID 171904745) is methyl 2-[[(2S)-2-(dimethylamino)-4-methylpentanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2S)-2-(dimethylamino)-4-methylpentanoyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2S)-2-(dimethylamino)-4-methylpentanoyl]amino]acetate is COC(=O)CNC(=O)[C@H](CC(C)C)N(C)C.
What is the InChIKey of methyl 2-[[(2S)-2-(dimethylamino)-4-methylpentanoyl]amino]acetate?
The InChIKey is ZBXSFMAXDWYKHT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)6-9(13(3)4)11(15)12-7-10(14)16-5/h8-9H,6-7H2,1-5H3,(H,12,15)/t9-/m0/s1.
What are the key properties of methyl 2-[[(2S)-2-(dimethylamino)-4-methylpentanoyl]amino]acetate?
methyl 2-[[(2S)-2-(dimethylamino)-4-methylpentanoyl]amino]acetate has a molecular weight of 230.31 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-(dimethylamino)-4-methylpentanoyl]amino]acetate is sourced from PubChem (CID 171904745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).