methyl 3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate

C11H22N2O3 — CID 60672558

IUPACmethyl 3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate
SMILESCCC(C)(C)NC(=O)CNCCC(=O)OC
InChIInChI=1S/C11H22N2O3/c1-5-11(2,3)13-9(14)8-12-7-6-10(15)16-4/h12H,5-8H2,1-4H3,(H,13,14)
InChIKeyNGJYDCBHPZQAON-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.44
Rot. Bonds7

About methyl 3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate

methyl 3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate (PubChem CID 60672558) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate
PubChem CID60672558
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate
SMILESCCC(C)(C)NC(=O)CNCCC(=O)OC
InChIInChI=1S/C11H22N2O3/c1-5-11(2,3)13-9(14)8-12-7-6-10(15)16-4/h12H,5-8H2,1-4H3,(H,13,14)
InChIKeyNGJYDCBHPZQAON-UHFFFAOYSA-N
XLogP0.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate (CID 60672558) is methyl 3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate is CCC(C)(C)NC(=O)CNCCC(=O)OC.
What is the InChIKey of methyl 3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate?
The InChIKey is NGJYDCBHPZQAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-11(2,3)13-9(14)8-12-7-6-10(15)16-4/h12H,5-8H2,1-4H3,(H,13,14).
What are the key properties of methyl 3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate?
methyl 3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate has a molecular weight of 230.31 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 60672558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).