methyl 2-(3-methylbutanoylamino)acetate

C8H15NO3 — CID 533941

IUPACmethyl 2-(3-methylbutanoylamino)acetate
SMILESCOC(=O)CNC(=O)CC(C)C
InChIInChI=1S/C8H15NO3/c1-6(2)4-7(10)9-5-8(11)12-3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeySWOIBHOWNKRRFN-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.32
Rot. Bonds4

About methyl 2-(3-methylbutanoylamino)acetate

methyl 2-(3-methylbutanoylamino)acetate (PubChem CID 533941) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-(3-methylbutanoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methylbutanoylamino)acetate
PubChem CID533941
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-(3-methylbutanoylamino)acetate
SMILESCOC(=O)CNC(=O)CC(C)C
InChIInChI=1S/C8H15NO3/c1-6(2)4-7(10)9-5-8(11)12-3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeySWOIBHOWNKRRFN-UHFFFAOYSA-N
XLogP0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methylbutanoylamino)acetate?
The IUPAC name of methyl 2-(3-methylbutanoylamino)acetate (CID 533941) is methyl 2-(3-methylbutanoylamino)acetate.
What is the SMILES notation for methyl 2-(3-methylbutanoylamino)acetate?
The canonical SMILES for methyl 2-(3-methylbutanoylamino)acetate is COC(=O)CNC(=O)CC(C)C.
What is the InChIKey of methyl 2-(3-methylbutanoylamino)acetate?
The InChIKey is SWOIBHOWNKRRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(2)4-7(10)9-5-8(11)12-3/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of methyl 2-(3-methylbutanoylamino)acetate?
methyl 2-(3-methylbutanoylamino)acetate has a molecular weight of 173.21 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methylbutanoylamino)acetate is sourced from PubChem (CID 533941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).