5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid

C13H18N2O4 — CID 81076913

IUPAC5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)Cc1ccncc1)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-19-8-2-3-11(13(17)18)15-12(16)9-10-4-6-14-7-5-10/h4-7,11H,2-3,8-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyKXDUZVHMRONHRF-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.62
Rot. Bonds8

About 5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid

5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid (PubChem CID 81076913) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid
PubChem CID81076913
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)Cc1ccncc1)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-19-8-2-3-11(13(17)18)15-12(16)9-10-4-6-14-7-5-10/h4-7,11H,2-3,8-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyKXDUZVHMRONHRF-UHFFFAOYSA-N
XLogP0.62
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.62
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

5-methoxy-2-[(2-pyridin-4-ylsulfanylacetyl)amino]pentanoic acid
CID 81077244
5-methoxy-2-(2-pyridin-4-ylethylsulfonylamino)pentanoic acid
CID 81086349
5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 81085334
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid
CID 81077805
5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid
CID 81076986
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 81082252
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid
CID 81084032
5-methoxy-2-(2-methylpropanoylamino)pentanoic acid
CID 81077391
2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077077

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid (CID 81076913) is 5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid is COCCCC(NC(=O)Cc1ccncc1)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid?
The InChIKey is KXDUZVHMRONHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-19-8-2-3-11(13(17)18)15-12(16)9-10-4-6-14-7-5-10/h4-7,11H,2-3,8-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid?
5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid is sourced from PubChem (CID 81076913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).