3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid

C15H21NO3 — CID 43628352

IUPAC3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid
SMILESO=C(O)c1occc1CN1CCCC2CCCCC21
InChIInChI=1S/C15H21NO3/c17-15(18)14-12(7-9-19-14)10-16-8-3-5-11-4-1-2-6-13(11)16/h7,9,11,13H,1-6,8,10H2,(H,17,18)
InChIKeyKGYBEMBDJQJCSW-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.13
Rot. Bonds3

About 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid

3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid (PubChem CID 43628352) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid
PubChem CID43628352
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid
SMILESO=C(O)c1occc1CN1CCCC2CCCCC21
InChIInChI=1S/C15H21NO3/c17-15(18)14-12(7-9-19-14)10-16-8-3-5-11-4-1-2-6-13(11)16/h7,9,11,13H,1-6,8,10H2,(H,17,18)
InChIKeyKGYBEMBDJQJCSW-UHFFFAOYSA-N
XLogP3.13
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid with MolForge

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Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
CID 43628353
3-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 138045770
2-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]phenyl]acetic acid
CID 102727074
3-[(2-cyclopentylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63639561
methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 56502395
N-[[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]furan-2-yl]methyl]propan-2-amine
CID 102728475
N-[[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]furan-3-yl]methyl]ethanamine
CID 102728468
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-6-aminobenzoic acid
CID 104824402
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid
CID 43409735
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid;hydrochloride
CID 67010209
3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 61441416
3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid
CID 103262102

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid?
The IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid (CID 43628352) is 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid.
What is the SMILES notation for 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid?
The canonical SMILES for 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid is O=C(O)c1occc1CN1CCCC2CCCCC21.
What is the InChIKey of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid?
The InChIKey is KGYBEMBDJQJCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-15(18)14-12(7-9-19-14)10-16-8-3-5-11-4-1-2-6-13(11)16/h7,9,11,13H,1-6,8,10H2,(H,17,18).
What are the key properties of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid?
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid is sourced from PubChem (CID 43628352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).