methyl 2-cyano-3-methoxypropanoate

C6H9NO3 — CID 88578090

IUPACmethyl 2-cyano-3-methoxypropanoate
SMILESCOCC(C#N)C(=O)OC
InChIInChI=1S/C6H9NO3/c1-9-4-5(3-7)6(8)10-2/h5H,4H2,1-2H3
InChIKeyCJIKKPOBZKQOJG-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.05
Rot. Bonds3

About methyl 2-cyano-3-methoxypropanoate

methyl 2-cyano-3-methoxypropanoate (PubChem CID 88578090) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is methyl 2-cyano-3-methoxypropanoate.

Molecular Properties

Compound Namemethyl 2-cyano-3-methoxypropanoate
PubChem CID88578090
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Namemethyl 2-cyano-3-methoxypropanoate
SMILESCOCC(C#N)C(=O)OC
InChIInChI=1S/C6H9NO3/c1-9-4-5(3-7)6(8)10-2/h5H,4H2,1-2H3
InChIKeyCJIKKPOBZKQOJG-UHFFFAOYSA-N
XLogP-0.05
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

potassium 2-cyano-3-methoxy-3-oxopropan-1-olate
CID 21344726
methyl 2-cyano-5,5-dimethyl-4-oxohexanoate
CID 59345805
methyl 5-bromo-2-cyanopentanoate
CID 101369397
methyl 3-(aziridin-1-yl)-2-cyanopropanoate
CID 57033224
methyl 2-cyanohept-6-ynoate
CID 15179027
methyl 2,2-dicyanoacetate
CID 10931428
methyl (2R)-2-cyano-3-(3-methylcyclobutyl)propanoate
CID 129433831
methyl 2-cyanohept-6-enoate
CID 15363749
2-cyano-N-(2-methoxyethoxy)pentanamide
CID 107857047
methyl (E)-6-acetyloxy-2-cyanohex-4-enoate
CID 102440535
methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627
N-(1-cyano-2-methoxyethyl)acetamide
CID 127014883

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyano-3-methoxypropanoate?
The IUPAC name of methyl 2-cyano-3-methoxypropanoate (CID 88578090) is methyl 2-cyano-3-methoxypropanoate.
What is the SMILES notation for methyl 2-cyano-3-methoxypropanoate?
The canonical SMILES for methyl 2-cyano-3-methoxypropanoate is COCC(C#N)C(=O)OC.
What is the InChIKey of methyl 2-cyano-3-methoxypropanoate?
The InChIKey is CJIKKPOBZKQOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-9-4-5(3-7)6(8)10-2/h5H,4H2,1-2H3.
What are the key properties of methyl 2-cyano-3-methoxypropanoate?
methyl 2-cyano-3-methoxypropanoate has a molecular weight of 143.14 g/mol, XLogP of -0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyano-3-methoxypropanoate is sourced from PubChem (CID 88578090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).