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

C9H18N2O5 — CID 103261713

IUPACmethyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate
SMILESCOCCONCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C9H18N2O5/c1-7(12)11-8(9(13)15-3)6-10-16-5-4-14-2/h8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyPXGZHJWYRKCVDH-UHFFFAOYSA-N
MW234.25 g/mol
LogP-1.17
Rot. Bonds8

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

methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate (PubChem CID 103261713) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate
PubChem CID103261713
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Namemethyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate
SMILESCOCCONCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C9H18N2O5/c1-7(12)11-8(9(13)15-3)6-10-16-5-4-14-2/h8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyPXGZHJWYRKCVDH-UHFFFAOYSA-N
XLogP-1.17
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-acetamido-3-(ethoxyamino)propanoate
CID 103254521
methyl 2-acetamido-3-(2-ethoxyethylamino)propanoate
CID 103230126
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate
CID 65475175
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
methyl 2-acetamido-3-(2-ethylbutylamino)propanoate
CID 103267065
methyl 2-acetamido-3-(2-butoxyethylamino)propanoate
CID 103242734
methyl (2R)-2-acetamido-3-[(2-acetamido-3-methoxy-3-oxopropyl)disulfanyl]propanoate
CID 54565842
methyl 2-acetamido-3-[(2-acetamido-3-oxobutyl)disulfanyl]propanoate
CID 167040629
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate
CID 107770080
methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate
CID 103242854

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate?
The IUPAC name of methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate (CID 103261713) is methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate is COCCONCC(NC(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate?
The InChIKey is PXGZHJWYRKCVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5/c1-7(12)11-8(9(13)15-3)6-10-16-5-4-14-2/h8,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate?
methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate has a molecular weight of 234.25 g/mol, XLogP of -1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate is sourced from PubChem (CID 103261713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).