5-(pyridin-3-ylamino)pentanoic acid

C10H14N2O2 — CID 102421086

IUPAC5-(pyridin-3-ylamino)pentanoic acid
SMILESO=C(O)CCCCNc1cccnc1
InChIInChI=1S/C10H14N2O2/c13-10(14)5-1-2-7-12-9-4-3-6-11-8-9/h3-4,6,8,12H,1-2,5,7H2,(H,13,14)
InChIKeyRNPWDLXICNQXCO-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.75
Rot. Bonds6

About 5-(pyridin-3-ylamino)pentanoic acid

5-(pyridin-3-ylamino)pentanoic acid (PubChem CID 102421086) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-(pyridin-3-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-(pyridin-3-ylamino)pentanoic acid
PubChem CID102421086
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-(pyridin-3-ylamino)pentanoic acid
SMILESO=C(O)CCCCNc1cccnc1
InChIInChI=1S/C10H14N2O2/c13-10(14)5-1-2-7-12-9-4-3-6-11-8-9/h3-4,6,8,12H,1-2,5,7H2,(H,13,14)
InChIKeyRNPWDLXICNQXCO-UHFFFAOYSA-N
XLogP1.75
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.75
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

5-anilinopentanoic acid
CID 28972030
4-(pyridin-3-ylsulfamoyl)butanoic acid
CID 28773517
ethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide
CID 145197968
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid
CID 81405026
5-[[2-(4-carboxybutylamino)-2-oxoacetyl]amino]pentanoic acid;3-(4-pyridin-3-ylbuta-1,3-diynyl)pyridine
CID 139145761
7-(3-pyridin-3-ylprop-2-enoylamino)heptanoic acid
CID 74872321
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]butanoic acid
CID 115218841
5-(naphthalen-2-ylamino)pentanoic acid
CID 28972022
7-[(3-chloro-2-pyridinyl)amino]heptanoic acid
CID 24694576
ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride
CID 172819614

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylamino)pentanoic acid?
The IUPAC name of 5-(pyridin-3-ylamino)pentanoic acid (CID 102421086) is 5-(pyridin-3-ylamino)pentanoic acid.
What is the SMILES notation for 5-(pyridin-3-ylamino)pentanoic acid?
The canonical SMILES for 5-(pyridin-3-ylamino)pentanoic acid is O=C(O)CCCCNc1cccnc1.
What is the InChIKey of 5-(pyridin-3-ylamino)pentanoic acid?
The InChIKey is RNPWDLXICNQXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10(14)5-1-2-7-12-9-4-3-6-11-8-9/h3-4,6,8,12H,1-2,5,7H2,(H,13,14).
What are the key properties of 5-(pyridin-3-ylamino)pentanoic acid?
5-(pyridin-3-ylamino)pentanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylamino)pentanoic acid is sourced from PubChem (CID 102421086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).