methyl 3-[acetyl(methyl)amino]propanoate

C7H13NO3 — CID 20720188

IUPACmethyl 3-[acetyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(C)=O
InChIInChI=1S/C7H13NO3/c1-6(9)8(2)5-4-7(10)11-3/h4-5H2,1-3H3
InChIKeyOTHFPTFDSHCQBO-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.03
Rot. Bonds3

About methyl 3-[acetyl(methyl)amino]propanoate

methyl 3-[acetyl(methyl)amino]propanoate (PubChem CID 20720188) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is methyl 3-[acetyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[acetyl(methyl)amino]propanoate
PubChem CID20720188
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Namemethyl 3-[acetyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(C)=O
InChIInChI=1S/C7H13NO3/c1-6(9)8(2)5-4-7(10)11-3/h4-5H2,1-3H3
InChIKeyOTHFPTFDSHCQBO-UHFFFAOYSA-N
XLogP0.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl butylacetylaminopropionate
CID 104150
beta-Alanine, N,N-dimethyl-, methyl ester
CID 199226
Methyl 2-(dimethylcarbamoyl)acetate
CID 11679835
3-(N-methylacetamido)propanoic acid
CID 541580
Ethyl 3-(diacetylamino)propanoate
CID 13408784
methyl 3-(3-(dimethylamino)-N-methylpropanamido)propanoate
CID 165893371
Methyl 3-[acetyl(propan-2-yl)amino]propanoate
CID 13496246
N-methyl-N-(beta-carbethoxyethyl)acetamide
CID 44241878
Methyl 3-(2,2,2-Trifluoro-N-methylacetamido)propanoate
CID 61587355
Methyl N-(methoxycarbonyl)-N-(3-methoxy-3-oxopropyl)-beta-alaninate
CID 44153613
Methyl 3-[ethyl-(2-fluoroacetyl)amino]propanoate
CID 88918928
ethyl N-acetyl-N-ethyl-beta-alaninate
CID 286523

Frequently Asked Questions

What is the IUPAC name of methyl 3-[acetyl(methyl)amino]propanoate?
The IUPAC name of methyl 3-[acetyl(methyl)amino]propanoate (CID 20720188) is methyl 3-[acetyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 3-[acetyl(methyl)amino]propanoate?
The canonical SMILES for methyl 3-[acetyl(methyl)amino]propanoate is COC(=O)CCN(C)C(C)=O.
What is the InChIKey of methyl 3-[acetyl(methyl)amino]propanoate?
The InChIKey is OTHFPTFDSHCQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(9)8(2)5-4-7(10)11-3/h4-5H2,1-3H3.
What are the key properties of methyl 3-[acetyl(methyl)amino]propanoate?
methyl 3-[acetyl(methyl)amino]propanoate has a molecular weight of 159.19 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[acetyl(methyl)amino]propanoate is sourced from PubChem (CID 20720188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).