ethyl 2-acetamido-4-methoxybutanoate

C9H17NO4 — CID 137321070

IUPACethyl 2-acetamido-4-methoxybutanoate
SMILESCCOC(=O)C(CCOC)NC(C)=O
InChIInChI=1S/C9H17NO4/c1-4-14-9(12)8(5-6-13-3)10-7(2)11/h8H,4-6H2,1-3H3,(H,10,11)
InChIKeyYGLLPFNPQUKCLX-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.09
Rot. Bonds6

About ethyl 2-acetamido-4-methoxybutanoate

ethyl 2-acetamido-4-methoxybutanoate (PubChem CID 137321070) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl 2-acetamido-4-methoxybutanoate.

Molecular Properties

Compound Nameethyl 2-acetamido-4-methoxybutanoate
PubChem CID137321070
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameethyl 2-acetamido-4-methoxybutanoate
SMILESCCOC(=O)C(CCOC)NC(C)=O
InChIInChI=1S/C9H17NO4/c1-4-14-9(12)8(5-6-13-3)10-7(2)11/h8H,4-6H2,1-3H3,(H,10,11)
InChIKeyYGLLPFNPQUKCLX-UHFFFAOYSA-N
XLogP0.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(ethylamino)-4-methoxybutanoate
CID 63041386
ethyl (2R)-2-acetamido-4-methylsulfonylbutanoate
CID 124671880
ethyl 2-acetamido-3-hydroxypropanoate
CID 14420231
ethyl (2S)-2-acetamido-5-bromooctanoate
CID 86653823
ethyl (2R)-2-acetamidohept-5-ynoate
CID 156662212
ethyl (2S)-2-acetamidohept-5-ynoate
CID 159702175
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
5-O-ethyl 1-O-methyl 2-acetamidopentanedioate
CID 11345256
methyl 2-acetamidooctanoate
CID 6429509
ethyl 2-acetamido-3-acetylsulfanylpropanoate
CID 10263396
ethyl 2-acetamido-4-iodopent-4-enoate
CID 15182780

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-4-methoxybutanoate?
The IUPAC name of ethyl 2-acetamido-4-methoxybutanoate (CID 137321070) is ethyl 2-acetamido-4-methoxybutanoate.
What is the SMILES notation for ethyl 2-acetamido-4-methoxybutanoate?
The canonical SMILES for ethyl 2-acetamido-4-methoxybutanoate is CCOC(=O)C(CCOC)NC(C)=O.
What is the InChIKey of ethyl 2-acetamido-4-methoxybutanoate?
The InChIKey is YGLLPFNPQUKCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-4-14-9(12)8(5-6-13-3)10-7(2)11/h8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of ethyl 2-acetamido-4-methoxybutanoate?
ethyl 2-acetamido-4-methoxybutanoate has a molecular weight of 203.24 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-4-methoxybutanoate is sourced from PubChem (CID 137321070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).