ethyl (2S)-2-acetamido-4-amino-4-oxobutanoate

C8H14N2O4 — CID 14420388

IUPACethyl (2S)-2-acetamido-4-amino-4-oxobutanoate
SMILESCCOC(=O)[C@H](CC(N)=O)NC(C)=O
InChIInChI=1S/C8H14N2O4/c1-3-14-8(13)6(4-7(9)12)10-5(2)11/h6H,3-4H2,1-2H3,(H2,9,12)(H,10,11)/t6-/m0/s1
InChIKeyIMWFDMROVKAUGI-LURJTMIESA-N
MW202.21 g/mol
LogP-1.07
Rot. Bonds5

About ethyl (2S)-2-acetamido-4-amino-4-oxobutanoate

ethyl (2S)-2-acetamido-4-amino-4-oxobutanoate (PubChem CID 14420388) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is ethyl (2S)-2-acetamido-4-amino-4-oxobutanoate.

Molecular Properties

Compound Nameethyl (2S)-2-acetamido-4-amino-4-oxobutanoate
PubChem CID14420388
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Nameethyl (2S)-2-acetamido-4-amino-4-oxobutanoate
SMILESCCOC(=O)[C@H](CC(N)=O)NC(C)=O
InChIInChI=1S/C8H14N2O4/c1-3-14-8(13)6(4-7(9)12)10-5(2)11/h6H,3-4H2,1-2H3,(H2,9,12)(H,10,11)/t6-/m0/s1
InChIKeyIMWFDMROVKAUGI-LURJTMIESA-N
XLogP-1.07
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-acetamido-4-amino-4-oxobutanoate?
The IUPAC name of ethyl (2S)-2-acetamido-4-amino-4-oxobutanoate (CID 14420388) is ethyl (2S)-2-acetamido-4-amino-4-oxobutanoate.
What is the SMILES notation for ethyl (2S)-2-acetamido-4-amino-4-oxobutanoate?
The canonical SMILES for ethyl (2S)-2-acetamido-4-amino-4-oxobutanoate is CCOC(=O)[C@H](CC(N)=O)NC(C)=O.
What is the InChIKey of ethyl (2S)-2-acetamido-4-amino-4-oxobutanoate?
The InChIKey is IMWFDMROVKAUGI-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O4/c1-3-14-8(13)6(4-7(9)12)10-5(2)11/h6H,3-4H2,1-2H3,(H2,9,12)(H,10,11)/t6-/m0/s1.
What are the key properties of ethyl (2S)-2-acetamido-4-amino-4-oxobutanoate?
ethyl (2S)-2-acetamido-4-amino-4-oxobutanoate has a molecular weight of 202.21 g/mol, XLogP of -1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-acetamido-4-amino-4-oxobutanoate is sourced from PubChem (CID 14420388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).