6-[methoxycarbonyl(methyl)amino]hexanoic acid

C9H17NO4 — CID 18443022

IUPAC6-[methoxycarbonyl(methyl)amino]hexanoic acid
SMILESCOC(=O)N(C)CCCCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-10(9(13)14-2)7-5-3-4-6-8(11)12/h3-7H2,1-2H3,(H,11,12)
InChIKeyRVYLOOPJTSHFOK-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.33
Rot. Bonds6

About 6-[methoxycarbonyl(methyl)amino]hexanoic acid

6-[methoxycarbonyl(methyl)amino]hexanoic acid (PubChem CID 18443022) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-[methoxycarbonyl(methyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[methoxycarbonyl(methyl)amino]hexanoic acid
PubChem CID18443022
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name6-[methoxycarbonyl(methyl)amino]hexanoic acid
SMILESCOC(=O)N(C)CCCCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-10(9(13)14-2)7-5-3-4-6-8(11)12/h3-7H2,1-2H3,(H,11,12)
InChIKeyRVYLOOPJTSHFOK-UHFFFAOYSA-N
XLogP1.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[methoxycarbonyl(methyl)amino]hexanoic acid?
The IUPAC name of 6-[methoxycarbonyl(methyl)amino]hexanoic acid (CID 18443022) is 6-[methoxycarbonyl(methyl)amino]hexanoic acid.
What is the SMILES notation for 6-[methoxycarbonyl(methyl)amino]hexanoic acid?
The canonical SMILES for 6-[methoxycarbonyl(methyl)amino]hexanoic acid is COC(=O)N(C)CCCCCC(=O)O.
What is the InChIKey of 6-[methoxycarbonyl(methyl)amino]hexanoic acid?
The InChIKey is RVYLOOPJTSHFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-10(9(13)14-2)7-5-3-4-6-8(11)12/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 6-[methoxycarbonyl(methyl)amino]hexanoic acid?
6-[methoxycarbonyl(methyl)amino]hexanoic acid has a molecular weight of 203.24 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methoxycarbonyl(methyl)amino]hexanoic acid is sourced from PubChem (CID 18443022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).