5-(pyridin-2-ylamino)pentanoic acid

C10H14N2O2 — CID 18518151

IUPAC5-(pyridin-2-ylamino)pentanoic acid
SMILESO=C(O)CCCCNc1ccccn1
InChIInChI=1S/C10H14N2O2/c13-10(14)6-2-4-8-12-9-5-1-3-7-11-9/h1,3,5,7H,2,4,6,8H2,(H,11,12)(H,13,14)
InChIKeyAVVKOSQEAVBDMJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.75
Rot. Bonds6

About 5-(pyridin-2-ylamino)pentanoic acid

5-(pyridin-2-ylamino)pentanoic acid (PubChem CID 18518151) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-(pyridin-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-(pyridin-2-ylamino)pentanoic acid
PubChem CID18518151
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-(pyridin-2-ylamino)pentanoic acid
SMILESO=C(O)CCCCNc1ccccn1
InChIInChI=1S/C10H14N2O2/c13-10(14)6-2-4-8-12-9-5-1-3-7-11-9/h1,3,5,7H,2,4,6,8H2,(H,11,12)(H,13,14)
InChIKeyAVVKOSQEAVBDMJ-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

N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea
CID 51108284
N-(4-chlorobutyl)pyridin-2-amine
CID 106845032
N-(5-chloropentyl)pyridin-2-amine
CID 107320546
6-[(4-methyl-2-pyridinyl)amino]hexanoic acid
CID 18518012
N-(3-chloropropyl)pyridin-2-amine
CID 22118637
5-anilinopentanoic acid
CID 28972030
4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride
CID 119874666
2-(pyridin-2-ylamino)ethyl hydrogen carbonate
CID 91086886
3-[[(2R)-3-hydroxy-2-[5-(pyridin-2-ylamino)pentanoylamino]propanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 10185588
N-butylpyridin-2-amine
CID 14322668
6-[(5-bromo-2-pyridinyl)amino]hexanoic acid
CID 24704054

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-2-ylamino)pentanoic acid?
The IUPAC name of 5-(pyridin-2-ylamino)pentanoic acid (CID 18518151) is 5-(pyridin-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-(pyridin-2-ylamino)pentanoic acid?
The canonical SMILES for 5-(pyridin-2-ylamino)pentanoic acid is O=C(O)CCCCNc1ccccn1.
What is the InChIKey of 5-(pyridin-2-ylamino)pentanoic acid?
The InChIKey is AVVKOSQEAVBDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10(14)6-2-4-8-12-9-5-1-3-7-11-9/h1,3,5,7H,2,4,6,8H2,(H,11,12)(H,13,14).
What are the key properties of 5-(pyridin-2-ylamino)pentanoic acid?
5-(pyridin-2-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-2-ylamino)pentanoic acid is sourced from PubChem (CID 18518151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).