methyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate

C8H15NO3 — CID 166967471

IUPACmethyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate
SMILESC=C(COC)NC(C)C(=O)OC
InChIInChI=1S/C8H15NO3/c1-6(5-11-3)9-7(2)8(10)12-4/h7,9H,1,5H2,2-4H3
InChIKeyOQYLCASSCOTXJY-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.30
Rot. Bonds5

About methyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate

methyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate (PubChem CID 166967471) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate
PubChem CID166967471
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate
SMILESC=C(COC)NC(C)C(=O)OC
InChIInChI=1S/C8H15NO3/c1-6(5-11-3)9-7(2)8(10)12-4/h7,9H,1,5H2,2-4H3
InChIKeyOQYLCASSCOTXJY-UHFFFAOYSA-N
XLogP0.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 2-(ethylcarbamoylamino)propanoate
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N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxyacetamide
CID 76897406
methyl (2S)-2-(4-hydroxypentanoylamino)propanoate
CID 79200430
methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate
CID 155460298
methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate
CID 7024878
methyl 2-(2-chloropropanoylamino)propanoate
CID 60780321
(1-methoxy-1-oxopropan-2-yl)carbamodithioic acid
CID 102077472
methyl 2-(pentanoylamino)propanoate
CID 541659
3-amino-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 64895300

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate?
The IUPAC name of methyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate (CID 166967471) is methyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate.
What is the SMILES notation for methyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate?
The canonical SMILES for methyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate is C=C(COC)NC(C)C(=O)OC.
What is the InChIKey of methyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate?
The InChIKey is OQYLCASSCOTXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(5-11-3)9-7(2)8(10)12-4/h7,9H,1,5H2,2-4H3.
What are the key properties of methyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate?
methyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate has a molecular weight of 173.21 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate is sourced from PubChem (CID 166967471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).