methyl 2-acetamido-3-(2-butoxyethylamino)propanoate

C12H24N2O4 — CID 103242734

IUPACmethyl 2-acetamido-3-(2-butoxyethylamino)propanoate
SMILESCCCCOCCNCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C12H24N2O4/c1-4-5-7-18-8-6-13-9-11(12(16)17-3)14-10(2)15/h11,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyCVHSBTXMMGRCSV-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.07
Rot. Bonds10

About methyl 2-acetamido-3-(2-butoxyethylamino)propanoate

methyl 2-acetamido-3-(2-butoxyethylamino)propanoate (PubChem CID 103242734) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is methyl 2-acetamido-3-(2-butoxyethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(2-butoxyethylamino)propanoate
PubChem CID103242734
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Namemethyl 2-acetamido-3-(2-butoxyethylamino)propanoate
SMILESCCCCOCCNCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C12H24N2O4/c1-4-5-7-18-8-6-13-9-11(12(16)17-3)14-10(2)15/h11,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyCVHSBTXMMGRCSV-UHFFFAOYSA-N
XLogP0.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-acetamido-3-(2-ethoxyethylamino)propanoate
CID 103230126
3-(2-butoxyethylamino)-2-methylpropanoic acid
CID 61171284
methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate
CID 103261713
methyl 2-acetamido-3-(2-ethylbutylamino)propanoate
CID 103267065
methyl 2-acetamido-3-(ethoxyamino)propanoate
CID 103254521
methyl 2-acetamidooctanoate
CID 6429509
methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate
CID 103242854
methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate
CID 103254421
2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid
CID 106402035
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate
CID 104561977
methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate
CID 106401667

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(2-butoxyethylamino)propanoate?
The IUPAC name of methyl 2-acetamido-3-(2-butoxyethylamino)propanoate (CID 103242734) is methyl 2-acetamido-3-(2-butoxyethylamino)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(2-butoxyethylamino)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(2-butoxyethylamino)propanoate is CCCCOCCNCC(NC(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-acetamido-3-(2-butoxyethylamino)propanoate?
The InChIKey is CVHSBTXMMGRCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-4-5-7-18-8-6-13-9-11(12(16)17-3)14-10(2)15/h11,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of methyl 2-acetamido-3-(2-butoxyethylamino)propanoate?
methyl 2-acetamido-3-(2-butoxyethylamino)propanoate has a molecular weight of 260.33 g/mol, XLogP of 0.07, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(2-butoxyethylamino)propanoate is sourced from PubChem (CID 103242734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).