methyl 2-acetamidopropanoate

C6H11NO3 — CID 520278

IUPACmethyl 2-acetamidopropanoate
SMILESCOC(=O)C(C)NC(C)=O
InChIInChI=1S/C6H11NO3/c1-4(6(9)10-3)7-5(2)8/h4H,1-3H3,(H,7,8)
InChIKeyFQGVVDYNRHNTCK-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.32
Rot. Bonds2

About methyl 2-acetamidopropanoate

methyl 2-acetamidopropanoate (PubChem CID 520278) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 2-acetamidopropanoate.

Molecular Properties

Compound Namemethyl 2-acetamidopropanoate
PubChem CID520278
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 2-acetamidopropanoate
SMILESCOC(=O)C(C)NC(C)=O
InChIInChI=1S/C6H11NO3/c1-4(6(9)10-3)7-5(2)8/h4H,1-3H3,(H,7,8)
InChIKeyFQGVVDYNRHNTCK-UHFFFAOYSA-N
XLogP-0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Acetyl-L-alanine
CID 88064
(2R)-2-{[(2R)-2-ammoniopropanoyl]amino}propanoate
CID 6992112
{[(2S)-2-ammoniopropanoyl]amino}acetate
CID 6998028
Ala-Ala zwitterion
CID 6992372
Ethyl acetamidocyanoacetate
CID 95422
Ethyl acetamidoacetate
CID 74702
Methyl 2-acetamidoacetate
CID 517966
N-acetyl-D-alanine
CID 132213
L-Cysteine, N-acetyl-, methyl ester
CID 6542158
Methyl 2-(acetylamino)-3-chloropropionate
CID 287006
methyl N-acetylvalinate
CID 301593
Methyl (propionylamino)acetate
CID 533879

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamidopropanoate?
The IUPAC name of methyl 2-acetamidopropanoate (CID 520278) is methyl 2-acetamidopropanoate.
What is the SMILES notation for methyl 2-acetamidopropanoate?
The canonical SMILES for methyl 2-acetamidopropanoate is COC(=O)C(C)NC(C)=O.
What is the InChIKey of methyl 2-acetamidopropanoate?
The InChIKey is FQGVVDYNRHNTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(6(9)10-3)7-5(2)8/h4H,1-3H3,(H,7,8).
What are the key properties of methyl 2-acetamidopropanoate?
methyl 2-acetamidopropanoate has a molecular weight of 145.16 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamidopropanoate is sourced from PubChem (CID 520278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).