methyl 6-[carbonofluoridoyl(methyl)amino]hexanoate

C9H16FNO3 — CID 59079196

IUPACmethyl 6-[carbonofluoridoyl(methyl)amino]hexanoate
SMILESCOC(=O)CCCCCN(C)C(=O)F
InChIInChI=1S/C9H16FNO3/c1-11(9(10)13)7-5-3-4-6-8(12)14-2/h3-7H2,1-2H3
InChIKeyHTDZDMVAORVZLO-UHFFFAOYSA-N
MW205.23 g/mol
LogP1.74
Rot. Bonds6

About methyl 6-[carbonofluoridoyl(methyl)amino]hexanoate

methyl 6-[carbonofluoridoyl(methyl)amino]hexanoate (PubChem CID 59079196) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is methyl 6-[carbonofluoridoyl(methyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[carbonofluoridoyl(methyl)amino]hexanoate
PubChem CID59079196
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Namemethyl 6-[carbonofluoridoyl(methyl)amino]hexanoate
SMILESCOC(=O)CCCCCN(C)C(=O)F
InChIInChI=1S/C9H16FNO3/c1-11(9(10)13)7-5-3-4-6-8(12)14-2/h3-7H2,1-2H3
InChIKeyHTDZDMVAORVZLO-UHFFFAOYSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze methyl 6-[carbonofluoridoyl(methyl)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

6-(Trimethylazaniumyl)hexanoate
CID 13257220
Methyl 9-(diethylamino)-8-fluoro-9-oxononanoate
CID 135391116
Methyl 6-[(6-methoxy-6-oxohexyl)-(2,2,2-trifluoroacetyl)amino]hexanoate
CID 22089300
Methyl 6-(carbonofluoridoylamino)hexanoate
CID 59079205
Methyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate
CID 59875962
Methyl 6-[hexyl-(2,2,2-trifluoroacetyl)amino]hexanoate
CID 141894609
Methyl 6-(dipropan-2-ylamino)-6-oxohexanoate
CID 245399
Methyl 6-(dimethylamino)-6-oxohexanoate
CID 12388986
Ethyl 6-(diethylamino)-6-oxohexanoate
CID 245385
Methyl 6-(diethylamino)-6-oxohexanoate
CID 245463
Ethyl 6-(Dimethylamino)Hexanoate
CID 13257218
6-[(Methoxycarbonyl)(methyl)amino]hexanoic acid
CID 18443022

Frequently Asked Questions

What is the IUPAC name of methyl 6-[carbonofluoridoyl(methyl)amino]hexanoate?
The IUPAC name of methyl 6-[carbonofluoridoyl(methyl)amino]hexanoate (CID 59079196) is methyl 6-[carbonofluoridoyl(methyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[carbonofluoridoyl(methyl)amino]hexanoate?
The canonical SMILES for methyl 6-[carbonofluoridoyl(methyl)amino]hexanoate is COC(=O)CCCCCN(C)C(=O)F.
What is the InChIKey of methyl 6-[carbonofluoridoyl(methyl)amino]hexanoate?
The InChIKey is HTDZDMVAORVZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-11(9(10)13)7-5-3-4-6-8(12)14-2/h3-7H2,1-2H3.
What are the key properties of methyl 6-[carbonofluoridoyl(methyl)amino]hexanoate?
methyl 6-[carbonofluoridoyl(methyl)amino]hexanoate has a molecular weight of 205.23 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[carbonofluoridoyl(methyl)amino]hexanoate is sourced from PubChem (CID 59079196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).