methyl 2-acetamido-3-acetyloxypropanoate

C8H13NO5 — CID 538243

IUPACmethyl 2-acetamido-3-acetyloxypropanoate
SMILESCOC(=O)C(COC(C)=O)NC(C)=O
InChIInChI=1S/C8H13NO5/c1-5(10)9-7(8(12)13-3)4-14-6(2)11/h7H,4H2,1-3H3,(H,9,10)
InChIKeyKXQKOUAWAXHVIA-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.77
Rot. Bonds4

About methyl 2-acetamido-3-acetyloxypropanoate

methyl 2-acetamido-3-acetyloxypropanoate (PubChem CID 538243) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is methyl 2-acetamido-3-acetyloxypropanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-acetyloxypropanoate
PubChem CID538243
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Namemethyl 2-acetamido-3-acetyloxypropanoate
SMILESCOC(=O)C(COC(C)=O)NC(C)=O
InChIInChI=1S/C8H13NO5/c1-5(10)9-7(8(12)13-3)4-14-6(2)11/h7H,4H2,1-3H3,(H,9,10)
InChIKeyKXQKOUAWAXHVIA-UHFFFAOYSA-N
XLogP-0.77
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate
CID 106446620
methyl (2R)-2-acetamido-3-methylsulfanylpropanoate
CID 13059384
methyl (2R)-2-acetamido-3-[(2-acetamido-3-methoxy-3-oxopropyl)disulfanyl]propanoate
CID 54565842
methyl 2-acetamido-3-prop-2-ynoxypropanoate
CID 75046402
methyl (2S)-2-acetamido-3-prop-2-ynoxypropanoate
CID 44542821
methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate
CID 65443972
methyl 2-acetamido-3-(3,3-dimethylbutoxy)propanoate
CID 66233558
methyl 2-acetamido-3-(4-methylphenoxy)propanoate
CID 65444167
methyl (2R)-2-acetamido-3-sulfamoylpropanoate
CID 21117273

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-acetyloxypropanoate?
The IUPAC name of methyl 2-acetamido-3-acetyloxypropanoate (CID 538243) is methyl 2-acetamido-3-acetyloxypropanoate.
What is the SMILES notation for methyl 2-acetamido-3-acetyloxypropanoate?
The canonical SMILES for methyl 2-acetamido-3-acetyloxypropanoate is COC(=O)C(COC(C)=O)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-acetyloxypropanoate?
The InChIKey is KXQKOUAWAXHVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-5(10)9-7(8(12)13-3)4-14-6(2)11/h7H,4H2,1-3H3,(H,9,10).
What are the key properties of methyl 2-acetamido-3-acetyloxypropanoate?
methyl 2-acetamido-3-acetyloxypropanoate has a molecular weight of 203.19 g/mol, XLogP of -0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-acetyloxypropanoate is sourced from PubChem (CID 538243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).