5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid

C15H26N2O3 — CID 82848019

IUPAC5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N1CCCC2CCCC21
InChIInChI=1S/C15H26N2O3/c1-11(5-2-9-14(18)19)16-15(20)17-10-4-7-12-6-3-8-13(12)17/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyOLFFLAFWIIOETF-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.60
Rot. Bonds5

About 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid

5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid (PubChem CID 82848019) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid
PubChem CID82848019
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N1CCCC2CCCC21
InChIInChI=1S/C15H26N2O3/c1-11(5-2-9-14(18)19)16-15(20)17-10-4-7-12-6-3-8-13(12)17/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyOLFFLAFWIIOETF-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-4-methylpentanoic acid
CID 82014108
(2R)-2-cyclopentyl-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide
CID 96559192
5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid
CID 82848994
5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid
CID 82848661
(2S)-2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]hexanoic acid
CID 107146655
N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599234
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-4-methylsulfanylbutanoic acid
CID 65320045
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-4-methoxybutanoic acid
CID 65320187
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-2-methylpropanoic acid
CID 65319645
5-(piperidine-1-carbonylamino)hexanoic acid
CID 82854268
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43406528
(2S)-2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-3-methylpentanoic acid
CID 61206521

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid?
The IUPAC name of 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid (CID 82848019) is 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid.
What is the SMILES notation for 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid?
The canonical SMILES for 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid is CC(CCCC(=O)O)NC(=O)N1CCCC2CCCC21.
What is the InChIKey of 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid?
The InChIKey is OLFFLAFWIIOETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(5-2-9-14(18)19)16-15(20)17-10-4-7-12-6-3-8-13(12)17/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid?
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid has a molecular weight of 282.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid is sourced from PubChem (CID 82848019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).