methyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate

C13H25NO4 — CID 103021720

IUPACmethyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)CC(C)(C)OC
InChIInChI=1S/C13H25NO4/c1-13(2,18-4)10-11(15)14-9-7-5-6-8-12(16)17-3/h5-10H2,1-4H3,(H,14,15)
InChIKeyKLHVLZMHKMPJGM-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.65
Rot. Bonds9

About methyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate

methyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate (PubChem CID 103021720) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is methyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate
PubChem CID103021720
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Namemethyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)CC(C)(C)OC
InChIInChI=1S/C13H25NO4/c1-13(2,18-4)10-11(15)14-9-7-5-6-8-12(16)17-3/h5-10H2,1-4H3,(H,14,15)
InChIKeyKLHVLZMHKMPJGM-UHFFFAOYSA-N
XLogP1.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate 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

N-(6-aminohexyl)-3-methoxy-3-methylbutanamide
CID 107843909
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
methyl 10-(octadecanoylamino)decanoate
CID 54073329
methyl 5-(octadecanoylamino)pentanoate
CID 155660844
methyl 6-(nonanoylamino)hexanoate
CID 43423430
methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate
CID 22088707
methyl 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-6-oxohexanoate
CID 164886523
methyl 6-[[N-(2-methoxy-2-methylpropyl)-N'-methylcarbamimidoyl]amino]hexanoate;hydroiodide
CID 111607172
methane;methyl 6-(methoxycarbonylamino)hexanoate;methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate;hydroiodide
CID 158570553
N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide
CID 103021358
dimethyl tricosanedioate
CID 12632762
dimethyl dotriacontanedioate
CID 14325565

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate?
The IUPAC name of methyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate (CID 103021720) is methyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate is COC(=O)CCCCCNC(=O)CC(C)(C)OC.
What is the InChIKey of methyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate?
The InChIKey is KLHVLZMHKMPJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-13(2,18-4)10-11(15)14-9-7-5-6-8-12(16)17-3/h5-10H2,1-4H3,(H,14,15).
What are the key properties of methyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate?
methyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate has a molecular weight of 259.35 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate is sourced from PubChem (CID 103021720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).