ethyl (2R)-2-acetamido-3-methoxypropanoate

C8H15NO4 — CID 132550883

IUPACethyl (2R)-2-acetamido-3-methoxypropanoate
SMILESCCOC(=O)[C@@H](COC)NC(C)=O
InChIInChI=1S/C8H15NO4/c1-4-13-8(11)7(5-12-3)9-6(2)10/h7H,4-5H2,1-3H3,(H,9,10)/t7-/m1/s1
InChIKeyLBEWXIFIQHCOGN-SSDOTTSWSA-N
MW189.21 g/mol
LogP-0.30
Rot. Bonds5

About ethyl (2R)-2-acetamido-3-methoxypropanoate

ethyl (2R)-2-acetamido-3-methoxypropanoate (PubChem CID 132550883) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is ethyl (2R)-2-acetamido-3-methoxypropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-acetamido-3-methoxypropanoate
PubChem CID132550883
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nameethyl (2R)-2-acetamido-3-methoxypropanoate
SMILESCCOC(=O)[C@@H](COC)NC(C)=O
InChIInChI=1S/C8H15NO4/c1-4-13-8(11)7(5-12-3)9-6(2)10/h7H,4-5H2,1-3H3,(H,9,10)/t7-/m1/s1
InChIKeyLBEWXIFIQHCOGN-SSDOTTSWSA-N
XLogP-0.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-acetamido-3-methoxypropanoate?
The IUPAC name of ethyl (2R)-2-acetamido-3-methoxypropanoate (CID 132550883) is ethyl (2R)-2-acetamido-3-methoxypropanoate.
What is the SMILES notation for ethyl (2R)-2-acetamido-3-methoxypropanoate?
The canonical SMILES for ethyl (2R)-2-acetamido-3-methoxypropanoate is CCOC(=O)[C@@H](COC)NC(C)=O.
What is the InChIKey of ethyl (2R)-2-acetamido-3-methoxypropanoate?
The InChIKey is LBEWXIFIQHCOGN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO4/c1-4-13-8(11)7(5-12-3)9-6(2)10/h7H,4-5H2,1-3H3,(H,9,10)/t7-/m1/s1.
What are the key properties of ethyl (2R)-2-acetamido-3-methoxypropanoate?
ethyl (2R)-2-acetamido-3-methoxypropanoate has a molecular weight of 189.21 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 ethyl (2R)-2-acetamido-3-methoxypropanoate is sourced from PubChem (CID 132550883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).