methyl 3-[[2-[methyl(prop-2-ynyl)amino]acetyl]amino]propanoate

C10H16N2O3 — CID 126490416

IUPACmethyl 3-[[2-[methyl(prop-2-ynyl)amino]acetyl]amino]propanoate
SMILESC#CCN(C)CC(=O)NCCC(=O)OC
InChIInChI=1S/C10H16N2O3/c1-4-7-12(2)8-9(13)11-6-5-10(14)15-3/h1H,5-8H2,2-3H3,(H,11,13)
InChIKeySPGXAUAMHRGCIG-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.77
Rot. Bonds6

About methyl 3-[[2-[methyl(prop-2-ynyl)amino]acetyl]amino]propanoate

methyl 3-[[2-[methyl(prop-2-ynyl)amino]acetyl]amino]propanoate (PubChem CID 126490416) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 3-[[2-[methyl(prop-2-ynyl)amino]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[methyl(prop-2-ynyl)amino]acetyl]amino]propanoate
PubChem CID126490416
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 3-[[2-[methyl(prop-2-ynyl)amino]acetyl]amino]propanoate
SMILESC#CCN(C)CC(=O)NCCC(=O)OC
InChIInChI=1S/C10H16N2O3/c1-4-7-12(2)8-9(13)11-6-5-10(14)15-3/h1H,5-8H2,2-3H3,(H,11,13)
InChIKeySPGXAUAMHRGCIG-UHFFFAOYSA-N
XLogP-0.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[methyl(prop-2-ynyl)amino]acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-[methyl(prop-2-ynyl)amino]acetyl]amino]propanoate (CID 126490416) is methyl 3-[[2-[methyl(prop-2-ynyl)amino]acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-[methyl(prop-2-ynyl)amino]acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-[methyl(prop-2-ynyl)amino]acetyl]amino]propanoate is C#CCN(C)CC(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-[[2-[methyl(prop-2-ynyl)amino]acetyl]amino]propanoate?
The InChIKey is SPGXAUAMHRGCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-7-12(2)8-9(13)11-6-5-10(14)15-3/h1H,5-8H2,2-3H3,(H,11,13).
What are the key properties of methyl 3-[[2-[methyl(prop-2-ynyl)amino]acetyl]amino]propanoate?
methyl 3-[[2-[methyl(prop-2-ynyl)amino]acetyl]amino]propanoate has a molecular weight of 212.25 g/mol, XLogP of -0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[methyl(prop-2-ynyl)amino]acetyl]amino]propanoate is sourced from PubChem (CID 126490416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).