5-O-ethyl 1-O-methyl 2-acetamidopentanedioate

C10H17NO5 — CID 11345256

IUPAC5-O-ethyl 1-O-methyl 2-acetamidopentanedioate
SMILESCCOC(=O)CCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C10H17NO5/c1-4-16-9(13)6-5-8(10(14)15-3)11-7(2)12/h8H,4-6H2,1-3H3,(H,11,12)
InChIKeyWFJGXATVWWTPGW-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.01
Rot. Bonds6

About 5-O-ethyl 1-O-methyl 2-acetamidopentanedioate

5-O-ethyl 1-O-methyl 2-acetamidopentanedioate (PubChem CID 11345256) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-O-ethyl 1-O-methyl 2-acetamidopentanedioate.

Molecular Properties

Compound Name5-O-ethyl 1-O-methyl 2-acetamidopentanedioate
PubChem CID11345256
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name5-O-ethyl 1-O-methyl 2-acetamidopentanedioate
SMILESCCOC(=O)CCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C10H17NO5/c1-4-16-9(13)6-5-8(10(14)15-3)11-7(2)12/h8H,4-6H2,1-3H3,(H,11,12)
InChIKeyWFJGXATVWWTPGW-UHFFFAOYSA-N
XLogP0.01
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-O-ethyl 1-O-methyl 2-acetamidopentanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
ethyl (4S)-4-acetamido-5-oxo-5-(pentylamino)pentanoate
CID 102426920
ethyl 4-acetamidohexanoate
CID 173385826
methyl (2S)-2-acetamidobutanoate
CID 11084154
dimethyl 2-(4-oxopentanoylamino)pentanedioate
CID 54470181
dimethyl 2-acetamidononanedioate
CID 71387450
ethyl 2-acetamido-4-methoxybutanoate
CID 137321070
methyl 2-acetamidooctanoate
CID 6429509
diethyl (2S)-2-methylpentanedioate
CID 89120789
diethyl 2-[[10-[(1,5-diethoxy-1,5-dioxopentan-2-yl)amino]-10-oxodecanoyl]amino]pentanedioate
CID 3104562
diethyl (2S)-2-[[9-[[(2R)-1,5-diethoxy-1,5-dioxopentan-2-yl]amino]-9-oxononanoyl]amino]pentanedioate
CID 92532578

Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 1-O-methyl 2-acetamidopentanedioate?
The IUPAC name of 5-O-ethyl 1-O-methyl 2-acetamidopentanedioate (CID 11345256) is 5-O-ethyl 1-O-methyl 2-acetamidopentanedioate.
What is the SMILES notation for 5-O-ethyl 1-O-methyl 2-acetamidopentanedioate?
The canonical SMILES for 5-O-ethyl 1-O-methyl 2-acetamidopentanedioate is CCOC(=O)CCC(NC(C)=O)C(=O)OC.
What is the InChIKey of 5-O-ethyl 1-O-methyl 2-acetamidopentanedioate?
The InChIKey is WFJGXATVWWTPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-4-16-9(13)6-5-8(10(14)15-3)11-7(2)12/h8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 5-O-ethyl 1-O-methyl 2-acetamidopentanedioate?
5-O-ethyl 1-O-methyl 2-acetamidopentanedioate has a molecular weight of 231.25 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 1-O-methyl 2-acetamidopentanedioate is sourced from PubChem (CID 11345256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).