methyl 2-[2-[2-aminopropanoyl(methyl)amino]propanoylamino]propanoate

C11H21N3O4 — CID 75038042

IUPACmethyl 2-[2-[2-aminopropanoyl(methyl)amino]propanoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)C(C)N(C)C(=O)C(C)N
InChIInChI=1S/C11H21N3O4/c1-6(12)10(16)14(4)8(3)9(15)13-7(2)11(17)18-5/h6-8H,12H2,1-5H3,(H,13,15)
InChIKeyFNFVRUBOZKCNGU-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.14
Rot. Bonds5

About methyl 2-[2-[2-aminopropanoyl(methyl)amino]propanoylamino]propanoate

methyl 2-[2-[2-aminopropanoyl(methyl)amino]propanoylamino]propanoate (PubChem CID 75038042) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-[2-[2-aminopropanoyl(methyl)amino]propanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-[2-aminopropanoyl(methyl)amino]propanoylamino]propanoate
PubChem CID75038042
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Namemethyl 2-[2-[2-aminopropanoyl(methyl)amino]propanoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)C(C)N(C)C(=O)C(C)N
InChIInChI=1S/C11H21N3O4/c1-6(12)10(16)14(4)8(3)9(15)13-7(2)11(17)18-5/h6-8H,12H2,1-5H3,(H,13,15)
InChIKeyFNFVRUBOZKCNGU-UHFFFAOYSA-N
XLogP-1.14
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-aminopropanoyl(methyl)amino]propanoylamino]propanoate?
The IUPAC name of methyl 2-[2-[2-aminopropanoyl(methyl)amino]propanoylamino]propanoate (CID 75038042) is methyl 2-[2-[2-aminopropanoyl(methyl)amino]propanoylamino]propanoate.
What is the SMILES notation for methyl 2-[2-[2-aminopropanoyl(methyl)amino]propanoylamino]propanoate?
The canonical SMILES for methyl 2-[2-[2-aminopropanoyl(methyl)amino]propanoylamino]propanoate is COC(=O)C(C)NC(=O)C(C)N(C)C(=O)C(C)N.
What is the InChIKey of methyl 2-[2-[2-aminopropanoyl(methyl)amino]propanoylamino]propanoate?
The InChIKey is FNFVRUBOZKCNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-6(12)10(16)14(4)8(3)9(15)13-7(2)11(17)18-5/h6-8H,12H2,1-5H3,(H,13,15).
What are the key properties of methyl 2-[2-[2-aminopropanoyl(methyl)amino]propanoylamino]propanoate?
methyl 2-[2-[2-aminopropanoyl(methyl)amino]propanoylamino]propanoate has a molecular weight of 259.31 g/mol, XLogP of -1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-aminopropanoyl(methyl)amino]propanoylamino]propanoate is sourced from PubChem (CID 75038042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).