methyl (2S)-2-acetamidopropanoate

C6H11NO3 — CID 6951030

IUPACmethyl (2S)-2-acetamidopropanoate
SMILESCOC(=O)[C@H](C)NC(C)=O
InChIInChI=1S/C6H11NO3/c1-4(6(9)10-3)7-5(2)8/h4H,1-3H3,(H,7,8)/t4-/m0/s1
InChIKeyFQGVVDYNRHNTCK-BYPYZUCNSA-N
MW145.16 g/mol
LogP-0.32
Rot. Bonds2

About methyl (2S)-2-acetamidopropanoate

methyl (2S)-2-acetamidopropanoate (PubChem CID 6951030) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl (2S)-2-acetamidopropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-acetamidopropanoate
PubChem CID6951030
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl (2S)-2-acetamidopropanoate
SMILESCOC(=O)[C@H](C)NC(C)=O
InChIInChI=1S/C6H11NO3/c1-4(6(9)10-3)7-5(2)8/h4H,1-3H3,(H,7,8)/t4-/m0/s1
InChIKeyFQGVVDYNRHNTCK-BYPYZUCNSA-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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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-acetamidopropanoate?
The IUPAC name of methyl (2S)-2-acetamidopropanoate (CID 6951030) is methyl (2S)-2-acetamidopropanoate.
What is the SMILES notation for methyl (2S)-2-acetamidopropanoate?
The canonical SMILES for methyl (2S)-2-acetamidopropanoate is COC(=O)[C@H](C)NC(C)=O.
What is the InChIKey of methyl (2S)-2-acetamidopropanoate?
The InChIKey is FQGVVDYNRHNTCK-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(6(9)10-3)7-5(2)8/h4H,1-3H3,(H,7,8)/t4-/m0/s1.
What are the key properties of methyl (2S)-2-acetamidopropanoate?
methyl (2S)-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 (2S)-2-acetamidopropanoate is sourced from PubChem (CID 6951030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).