3-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)oxetane-3-carboxylic acid

C14H17NO3 — CID 116997970

IUPAC3-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)oxetane-3-carboxylic acid
SMILESO=C(O)C1(Cc2ccc3c(c2)CCCN3)COC1
InChIInChI=1S/C14H17NO3/c16-13(17)14(8-18-9-14)7-10-3-4-12-11(6-10)2-1-5-15-12/h3-4,6,15H,1-2,5,7-9H2,(H,16,17)
InChIKeyBIFCZQAWDKVJIU-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.69
Rot. Bonds3

About 3-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)oxetane-3-carboxylic acid

3-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)oxetane-3-carboxylic acid (PubChem CID 116997970) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)oxetane-3-carboxylic acid
PubChem CID116997970
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)oxetane-3-carboxylic acid
SMILESO=C(O)C1(Cc2ccc3c(c2)CCCN3)COC1
InChIInChI=1S/C14H17NO3/c16-13(17)14(8-18-9-14)7-10-3-4-12-11(6-10)2-1-5-15-12/h3-4,6,15H,1-2,5,7-9H2,(H,16,17)
InChIKeyBIFCZQAWDKVJIU-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxetane-3-carboxylic acid
CID 116930141
2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid
CID 39226276
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
3-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]oxetane-3-carboxylic acid
CID 116930147
1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid
CID 82255711
1-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119547298
4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal
CID 164919422
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline
CID 61149619
3-[(4-methoxy-3-methylphenyl)methyl]oxetane-3-carboxylic acid
CID 116930073
1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide
CID 131363132
2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile
CID 116997937
ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate
CID 23003903

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)oxetane-3-carboxylic acid?
The IUPAC name of 3-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)oxetane-3-carboxylic acid (CID 116997970) is 3-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)oxetane-3-carboxylic acid.
What is the SMILES notation for 3-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)oxetane-3-carboxylic acid?
The canonical SMILES for 3-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)oxetane-3-carboxylic acid is O=C(O)C1(Cc2ccc3c(c2)CCCN3)COC1.
What is the InChIKey of 3-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)oxetane-3-carboxylic acid?
The InChIKey is BIFCZQAWDKVJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13(17)14(8-18-9-14)7-10-3-4-12-11(6-10)2-1-5-15-12/h3-4,6,15H,1-2,5,7-9H2,(H,16,17).
What are the key properties of 3-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)oxetane-3-carboxylic acid?
3-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)oxetane-3-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)oxetane-3-carboxylic acid is sourced from PubChem (CID 116997970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).