6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid

C13H20N2O3 — CID 113440531

IUPAC6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid
SMILESCOc1cccc(CC(CCCCN)C(=O)O)n1
InChIInChI=1S/C13H20N2O3/c1-18-12-7-4-6-11(15-12)9-10(13(16)17)5-2-3-8-14/h4,6-7,10H,2-3,5,8-9,14H2,1H3,(H,16,17)
InChIKeyNLPNNIUBSYFNEM-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.46
Rot. Bonds8

About 6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid

6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid (PubChem CID 113440531) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid
PubChem CID113440531
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid
SMILESCOc1cccc(CC(CCCCN)C(=O)O)n1
InChIInChI=1S/C13H20N2O3/c1-18-12-7-4-6-11(15-12)9-10(13(16)17)5-2-3-8-14/h4,6-7,10H,2-3,5,8-9,14H2,1H3,(H,16,17)
InChIKeyNLPNNIUBSYFNEM-UHFFFAOYSA-N
XLogP1.46
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-3-(6-methoxy-2-pyridinyl)propanamide
CID 103347793
6-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid
CID 113440529
3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid
CID 79424872
6-amino-2-(pyrimidin-2-ylmethyl)hexanoic acid
CID 104681371
1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one
CID 79416635
3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine
CID 63586658
4-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
CID 63992936
6-amino-2-[(3-bromophenyl)methyl]hexanoic acid
CID 104681509
5-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-amine
CID 63992937
6-amino-2-[(4-chlorophenyl)methyl]hexanoic acid
CID 104681512
6-amino-2-[(3,4-dimethylphenyl)methyl]hexanoic acid
CID 104681350
methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate
CID 63986668

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid?
The IUPAC name of 6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid (CID 113440531) is 6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid.
What is the SMILES notation for 6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid?
The canonical SMILES for 6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid is COc1cccc(CC(CCCCN)C(=O)O)n1.
What is the InChIKey of 6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid?
The InChIKey is NLPNNIUBSYFNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-18-12-7-4-6-11(15-12)9-10(13(16)17)5-2-3-8-14/h4,6-7,10H,2-3,5,8-9,14H2,1H3,(H,16,17).
What are the key properties of 6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid?
6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid has a molecular weight of 252.31 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid is sourced from PubChem (CID 113440531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).