6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid

Name: 6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₂₁NO₄ — CID 82364295

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid

SMILESCOC(=O)c1ccc(CNCCCCCC(=O)O)cc1

InChIInChI=1S/C15H21NO4/c1-20-15(19)13-8-6-12(7-9-13)11-16-10-4-2-3-5-14(17)18/h6-9,16H,2-5,10-11H2,1H3,(H,17,18)

InChIKeyHBEYOQTVDJGXCM-UHFFFAOYSA-N

MW279.34 g/mol

LogP2.21

Rot. Bonds9

About 6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid

6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid (PubChem CID 82364295) has the molecular formula C₁₅H₂₁NO₄ and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid.

Molecular Properties

Compound Name	6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid
PubChem CID	82364295
Molecular Formula	C₁₅H₂₁NO₄
Molecular Weight	279.34 g/mol
Exact Mass	279.15
IUPAC Name	6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid
SMILES	COC(=O)c1ccc(CNCCCCCC(=O)O)cc1
InChI	InChI=1S/C15H21NO4/c1-20-15(19)13-8-6-12(7-9-13)11-16-10-4-2-3-5-14(17)18/h6-9,16H,2-5,10-11H2,1H3,(H,17,18)
InChIKey	HBEYOQTVDJGXCM-UHFFFAOYSA-N
XLogP	2.21
TPSA	75.63 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	9
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.34
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid?

The IUPAC name of 6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid (CID 82364295) is 6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid.

What is the SMILES notation for 6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid?

The canonical SMILES for 6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid is COC(=O)c1ccc(CNCCCCCC(=O)O)cc1.

What is the InChIKey of 6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid?

The InChIKey is HBEYOQTVDJGXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-20-15(19)13-8-6-12(7-9-13)11-16-10-4-2-3-5-14(17)18/h6-9,16H,2-5,10-11H2,1H3,(H,17,18).

What are the key properties of 6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid?

6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid is sourced from PubChem (CID 82364295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 82364295 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.