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

C10H20N2O4 — CID 103230126

IUPACmethyl 2-acetamido-3-(2-ethoxyethylamino)propanoate
SMILESCCOCCNCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C10H20N2O4/c1-4-16-6-5-11-7-9(10(14)15-3)12-8(2)13/h9,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyYJIKGLOIWVHBBP-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.71
Rot. Bonds8

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

methyl 2-acetamido-3-(2-ethoxyethylamino)propanoate (PubChem CID 103230126) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 2-acetamido-3-(2-ethoxyethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(2-ethoxyethylamino)propanoate
PubChem CID103230126
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Namemethyl 2-acetamido-3-(2-ethoxyethylamino)propanoate
SMILESCCOCCNCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C10H20N2O4/c1-4-16-6-5-11-7-9(10(14)15-3)12-8(2)13/h9,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyYJIKGLOIWVHBBP-UHFFFAOYSA-N
XLogP-0.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.71
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-butoxyethylamino)propanoate
CID 103242734
methyl 2-acetamido-3-(ethoxyamino)propanoate
CID 103254521
methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate
CID 103261713
methyl 2-acetamido-3-(2-ethylbutylamino)propanoate
CID 103267065
3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride
CID 47003074
methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate
CID 103242854
methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate
CID 103254421
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl 2-acetamido-3-(2,3,3-trimethylbutylamino)propanoate
CID 103262309
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid
CID 106402035

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(2-ethoxyethylamino)propanoate?
The IUPAC name of methyl 2-acetamido-3-(2-ethoxyethylamino)propanoate (CID 103230126) is methyl 2-acetamido-3-(2-ethoxyethylamino)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(2-ethoxyethylamino)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(2-ethoxyethylamino)propanoate is CCOCCNCC(NC(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-acetamido-3-(2-ethoxyethylamino)propanoate?
The InChIKey is YJIKGLOIWVHBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-16-6-5-11-7-9(10(14)15-3)12-8(2)13/h9,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of methyl 2-acetamido-3-(2-ethoxyethylamino)propanoate?
methyl 2-acetamido-3-(2-ethoxyethylamino)propanoate has a molecular weight of 232.28 g/mol, XLogP of -0.71, 8 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-ethoxyethylamino)propanoate is sourced from PubChem (CID 103230126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).