methyl 2-[(butanoylamino)methyl]-3-methylbutanoate

C11H21NO3 — CID 134856988

IUPACmethyl 2-[(butanoylamino)methyl]-3-methylbutanoate
SMILESCCCC(=O)NCC(C(=O)OC)C(C)C
InChIInChI=1S/C11H21NO3/c1-5-6-10(13)12-7-9(8(2)3)11(14)15-4/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyPFKVGDDJZQXGPX-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds6

About methyl 2-[(butanoylamino)methyl]-3-methylbutanoate

methyl 2-[(butanoylamino)methyl]-3-methylbutanoate (PubChem CID 134856988) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-[(butanoylamino)methyl]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(butanoylamino)methyl]-3-methylbutanoate
PubChem CID134856988
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-[(butanoylamino)methyl]-3-methylbutanoate
SMILESCCCC(=O)NCC(C(=O)OC)C(C)C
InChIInChI=1S/C11H21NO3/c1-5-6-10(13)12-7-9(8(2)3)11(14)15-4/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyPFKVGDDJZQXGPX-UHFFFAOYSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(butanoylamino)methyl]-3-methylbutanoate?
The IUPAC name of methyl 2-[(butanoylamino)methyl]-3-methylbutanoate (CID 134856988) is methyl 2-[(butanoylamino)methyl]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(butanoylamino)methyl]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(butanoylamino)methyl]-3-methylbutanoate is CCCC(=O)NCC(C(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[(butanoylamino)methyl]-3-methylbutanoate?
The InChIKey is PFKVGDDJZQXGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-6-10(13)12-7-9(8(2)3)11(14)15-4/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-[(butanoylamino)methyl]-3-methylbutanoate?
methyl 2-[(butanoylamino)methyl]-3-methylbutanoate has a molecular weight of 215.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(butanoylamino)methyl]-3-methylbutanoate is sourced from PubChem (CID 134856988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).