methyl 3-(2-aminobutanoylamino)propanoate

C8H16N2O3 — CID 61252896

IUPACmethyl 3-(2-aminobutanoylamino)propanoate
SMILESCCC(N)C(=O)NCCC(=O)OC
InChIInChI=1S/C8H16N2O3/c1-3-6(9)8(12)10-5-4-7(11)13-2/h6H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyOQEPAJRYJOQKBD-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.60
Rot. Bonds5

About methyl 3-(2-aminobutanoylamino)propanoate

methyl 3-(2-aminobutanoylamino)propanoate (PubChem CID 61252896) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl 3-(2-aminobutanoylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-aminobutanoylamino)propanoate
PubChem CID61252896
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namemethyl 3-(2-aminobutanoylamino)propanoate
SMILESCCC(N)C(=O)NCCC(=O)OC
InChIInChI=1S/C8H16N2O3/c1-3-6(9)8(12)10-5-4-7(11)13-2/h6H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyOQEPAJRYJOQKBD-UHFFFAOYSA-N
XLogP-0.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-aminobutanoylamino)propanoate?
The IUPAC name of methyl 3-(2-aminobutanoylamino)propanoate (CID 61252896) is methyl 3-(2-aminobutanoylamino)propanoate.
What is the SMILES notation for methyl 3-(2-aminobutanoylamino)propanoate?
The canonical SMILES for methyl 3-(2-aminobutanoylamino)propanoate is CCC(N)C(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-(2-aminobutanoylamino)propanoate?
The InChIKey is OQEPAJRYJOQKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-6(9)8(12)10-5-4-7(11)13-2/h6H,3-5,9H2,1-2H3,(H,10,12).
What are the key properties of methyl 3-(2-aminobutanoylamino)propanoate?
methyl 3-(2-aminobutanoylamino)propanoate has a molecular weight of 188.23 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-aminobutanoylamino)propanoate is sourced from PubChem (CID 61252896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).