methyl 6-[(2-aminobenzoyl)amino]hexanoate

C14H20N2O3 — CID 110485214

IUPACmethyl 6-[(2-aminobenzoyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccccc1N
InChIInChI=1S/C14H20N2O3/c1-19-13(17)9-3-2-6-10-16-14(18)11-7-4-5-8-12(11)15/h4-5,7-8H,2-3,6,9-10,15H2,1H3,(H,16,18)
InChIKeyUEHHEHHWSPOLIS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.73
Rot. Bonds7

About methyl 6-[(2-aminobenzoyl)amino]hexanoate

methyl 6-[(2-aminobenzoyl)amino]hexanoate (PubChem CID 110485214) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 6-[(2-aminobenzoyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(2-aminobenzoyl)amino]hexanoate
PubChem CID110485214
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 6-[(2-aminobenzoyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccccc1N
InChIInChI=1S/C14H20N2O3/c1-19-13(17)9-3-2-6-10-16-14(18)11-7-4-5-8-12(11)15/h4-5,7-8H,2-3,6,9-10,15H2,1H3,(H,16,18)
InChIKeyUEHHEHHWSPOLIS-UHFFFAOYSA-N
XLogP1.73
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-aminobenzoyl)amino]hexanoate?
The IUPAC name of methyl 6-[(2-aminobenzoyl)amino]hexanoate (CID 110485214) is methyl 6-[(2-aminobenzoyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(2-aminobenzoyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(2-aminobenzoyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1ccccc1N.
What is the InChIKey of methyl 6-[(2-aminobenzoyl)amino]hexanoate?
The InChIKey is UEHHEHHWSPOLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-13(17)9-3-2-6-10-16-14(18)11-7-4-5-8-12(11)15/h4-5,7-8H,2-3,6,9-10,15H2,1H3,(H,16,18).
What are the key properties of methyl 6-[(2-aminobenzoyl)amino]hexanoate?
methyl 6-[(2-aminobenzoyl)amino]hexanoate has a molecular weight of 264.32 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-aminobenzoyl)amino]hexanoate is sourced from PubChem (CID 110485214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).