methyl 2-[methyl(3-methylbutanoyl)amino]acetate

C9H17NO3 — CID 551711

IUPACmethyl 2-[methyl(3-methylbutanoyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)CC(C)C
InChIInChI=1S/C9H17NO3/c1-7(2)5-8(11)10(3)6-9(12)13-4/h7H,5-6H2,1-4H3
InChIKeyLLDDAROGLMPVPI-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.66
Rot. Bonds4

About methyl 2-[methyl(3-methylbutanoyl)amino]acetate

methyl 2-[methyl(3-methylbutanoyl)amino]acetate (PubChem CID 551711) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-[methyl(3-methylbutanoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(3-methylbutanoyl)amino]acetate
PubChem CID551711
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-[methyl(3-methylbutanoyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)CC(C)C
InChIInChI=1S/C9H17NO3/c1-7(2)5-8(11)10(3)6-9(12)13-4/h7H,5-6H2,1-4H3
InChIKeyLLDDAROGLMPVPI-UHFFFAOYSA-N
XLogP0.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(3-methylbutanoyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(3-methylbutanoyl)amino]acetate (CID 551711) is methyl 2-[methyl(3-methylbutanoyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(3-methylbutanoyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(3-methylbutanoyl)amino]acetate is COC(=O)CN(C)C(=O)CC(C)C.
What is the InChIKey of methyl 2-[methyl(3-methylbutanoyl)amino]acetate?
The InChIKey is LLDDAROGLMPVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)5-8(11)10(3)6-9(12)13-4/h7H,5-6H2,1-4H3.
What are the key properties of methyl 2-[methyl(3-methylbutanoyl)amino]acetate?
methyl 2-[methyl(3-methylbutanoyl)amino]acetate has a molecular weight of 187.24 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(3-methylbutanoyl)amino]acetate is sourced from PubChem (CID 551711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).