methyl 2-acetamidooctanoate

C11H21NO3 — CID 6429509

IUPACmethyl 2-acetamidooctanoate
SMILESCCCCCCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C11H21NO3/c1-4-5-6-7-8-10(11(14)15-3)12-9(2)13/h10H,4-8H2,1-3H3,(H,12,13)
InChIKeyHXEHVYHMGGXHQE-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.63
Rot. Bonds7

About methyl 2-acetamidooctanoate

methyl 2-acetamidooctanoate (PubChem CID 6429509) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-acetamidooctanoate.

Molecular Properties

Compound Namemethyl 2-acetamidooctanoate
PubChem CID6429509
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-acetamidooctanoate
SMILESCCCCCCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C11H21NO3/c1-4-5-6-7-8-10(11(14)15-3)12-9(2)13/h10H,4-8H2,1-3H3,(H,12,13)
InChIKeyHXEHVYHMGGXHQE-UHFFFAOYSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-acetamidooctanoate 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

phosphanyl 2-acetamidooctanoate
CID 174816873
CID 157010257
CID 157010257
dimethyl 2-acetamidononanedioate
CID 71387450
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
2-acetamidotetracosanoic acid
CID 13224380
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305
methyl (2S)-2-methylnonanoate
CID 12525304
methyl 2-(propylamino)octanoate
CID 60795997
methyl 2-[(2,2,2-trifluoroacetyl)amino]heptanoate
CID 90995953
methyl 6-amino-2-(tridecanoylamino)hexanoate
CID 19368986

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamidooctanoate?
The IUPAC name of methyl 2-acetamidooctanoate (CID 6429509) is methyl 2-acetamidooctanoate.
What is the SMILES notation for methyl 2-acetamidooctanoate?
The canonical SMILES for methyl 2-acetamidooctanoate is CCCCCCC(NC(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-acetamidooctanoate?
The InChIKey is HXEHVYHMGGXHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-5-6-7-8-10(11(14)15-3)12-9(2)13/h10H,4-8H2,1-3H3,(H,12,13).
What are the key properties of methyl 2-acetamidooctanoate?
methyl 2-acetamidooctanoate has a molecular weight of 215.29 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamidooctanoate is sourced from PubChem (CID 6429509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).