6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid

C14H20N2O3 — CID 119220030

IUPAC6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid
SMILESCc1ccc(CC(=O)NCCCCCC(=O)O)cn1
InChIInChI=1S/C14H20N2O3/c1-11-6-7-12(10-16-11)9-13(17)15-8-4-2-3-5-14(18)19/h6-7,10H,2-5,8-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyXMUHXNYMQYQFMY-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.69
Rot. Bonds8

About 6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid

6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid (PubChem CID 119220030) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid
PubChem CID119220030
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid
SMILESCc1ccc(CC(=O)NCCCCCC(=O)O)cn1
InChIInChI=1S/C14H20N2O3/c1-11-6-7-12(10-16-11)9-13(17)15-8-4-2-3-5-14(18)19/h6-7,10H,2-5,8-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyXMUHXNYMQYQFMY-UHFFFAOYSA-N
XLogP1.69
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid
CID 62995104
5-[(6-methyl-3-pyridinyl)methylamino]-5-oxopentanoic acid
CID 62996023
5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid
CID 119235222
6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
CID 16793042
7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid
CID 24702414
6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid
CID 16789577
7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid
CID 24700548
6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid
CID 57495425
N-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 119549060
4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
CID 119204226
3-(6-methyl-3-pyridinyl)propylcarbamic acid
CID 118453961
7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
CID 43359020

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid (CID 119220030) is 6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid is Cc1ccc(CC(=O)NCCCCCC(=O)O)cn1.
What is the InChIKey of 6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid?
The InChIKey is XMUHXNYMQYQFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-6-7-12(10-16-11)9-13(17)15-8-4-2-3-5-14(18)19/h6-7,10H,2-5,8-9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid?
6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 119220030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).