7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid

C19H27NO2 — CID 14860295

IUPAC7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid
SMILESO=C(O)CCCCCC[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H27NO2/c21-18(22)8-4-2-1-3-7-17-14-9-10-15(12-14)19(17)16-6-5-11-20-13-16/h5-6,11,13-15,17,19H,1-4,7-10,12H2,(H,21,22)/t14-,15+,17+,19+/m0/s1
InChIKeySMSRXWFVIGHRDT-BUIAKZPTSA-N
MW301.43 g/mol
LogP4.64
Rot. Bonds8

About 7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid

7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid (PubChem CID 14860295) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid.

Molecular Properties

Compound Name7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid
PubChem CID14860295
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid
SMILESO=C(O)CCCCCC[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H27NO2/c21-18(22)8-4-2-1-3-7-17-14-9-10-15(12-14)19(17)16-6-5-11-20-13-16/h5-6,11,13-15,17,19H,1-4,7-10,12H2,(H,21,22)/t14-,15+,17+,19+/m0/s1
InChIKeySMSRXWFVIGHRDT-BUIAKZPTSA-N
XLogP4.64
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid with MolForge

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Related Compounds

(Z)-7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 14860292
hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 137374704
(1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine
CID 155537329
dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine
CID 51042709
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid
CID 67864533
7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid
CID 18377070
5-(pyridin-3-ylamino)pentanoic acid
CID 102421086
7-[(1R,5R)-5-chloro-3-hydroxy-2-(phenoxymethyl)cyclopentyl]heptanoic acid
CID 67528478
1-(4-pyridin-3-ylcyclohexyl)pentan-1-one
CID 118147206
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
7-(2-cyclopropylcyclopropyl)heptanoic acid
CID 85185916
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997

Frequently Asked Questions

What is the IUPAC name of 7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid?
The IUPAC name of 7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid (CID 14860295) is 7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid.
What is the SMILES notation for 7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid?
The canonical SMILES for 7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid is O=C(O)CCCCCC[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1c1cccnc1.
What is the InChIKey of 7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid?
The InChIKey is SMSRXWFVIGHRDT-BUIAKZPTSA-N. The full InChI is InChI=1S/C19H27NO2/c21-18(22)8-4-2-1-3-7-17-14-9-10-15(12-14)19(17)16-6-5-11-20-13-16/h5-6,11,13-15,17,19H,1-4,7-10,12H2,(H,21,22)/t14-,15+,17+,19+/m0/s1.
What are the key properties of 7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid?
7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid has a molecular weight of 301.43 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid is sourced from PubChem (CID 14860295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).