2-[3-oxo-3-(pyridin-2-ylamino)propyl]hexanoic acid

C14H20N2O3 — CID 3824656

IUPAC2-[3-oxo-3-(pyridin-2-ylamino)propyl]hexanoic acid
SMILESCCCCC(CCC(=O)Nc1ccccn1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-3-6-11(14(18)19)8-9-13(17)16-12-7-4-5-10-15-12/h4-5,7,10-11H,2-3,6,8-9H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyNFBMQDQOLFFYJA-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.69
Rot. Bonds8

About 2-[3-oxo-3-(pyridin-2-ylamino)propyl]hexanoic acid

2-[3-oxo-3-(pyridin-2-ylamino)propyl]hexanoic acid (PubChem CID 3824656) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[3-oxo-3-(pyridin-2-ylamino)propyl]hexanoic acid.

Molecular Properties

Compound Name2-[3-oxo-3-(pyridin-2-ylamino)propyl]hexanoic acid
PubChem CID3824656
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[3-oxo-3-(pyridin-2-ylamino)propyl]hexanoic acid
SMILESCCCCC(CCC(=O)Nc1ccccn1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-3-6-11(14(18)19)8-9-13(17)16-12-7-4-5-10-15-12/h4-5,7,10-11H,2-3,6,8-9H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyNFBMQDQOLFFYJA-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-(pyridin-2-ylamino)propyl]hexanoic acid?
The IUPAC name of 2-[3-oxo-3-(pyridin-2-ylamino)propyl]hexanoic acid (CID 3824656) is 2-[3-oxo-3-(pyridin-2-ylamino)propyl]hexanoic acid.
What is the SMILES notation for 2-[3-oxo-3-(pyridin-2-ylamino)propyl]hexanoic acid?
The canonical SMILES for 2-[3-oxo-3-(pyridin-2-ylamino)propyl]hexanoic acid is CCCCC(CCC(=O)Nc1ccccn1)C(=O)O.
What is the InChIKey of 2-[3-oxo-3-(pyridin-2-ylamino)propyl]hexanoic acid?
The InChIKey is NFBMQDQOLFFYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-3-6-11(14(18)19)8-9-13(17)16-12-7-4-5-10-15-12/h4-5,7,10-11H,2-3,6,8-9H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[3-oxo-3-(pyridin-2-ylamino)propyl]hexanoic acid?
2-[3-oxo-3-(pyridin-2-ylamino)propyl]hexanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-(pyridin-2-ylamino)propyl]hexanoic acid is sourced from PubChem (CID 3824656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).