2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid

C15H18N2O3 — CID 106901528

IUPAC2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2CNc3ccccc3C2)C1
InChIInChI=1S/C15H18N2O3/c18-14(19)5-10-8-17(9-10)15(20)12-6-11-3-1-2-4-13(11)16-7-12/h1-4,10,12,16H,5-9H2,(H,18,19)
InChIKeyVUJLVWZWJUTORY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.20
Rot. Bonds3

About 2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid

2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 106901528) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid
PubChem CID106901528
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2CNc3ccccc3C2)C1
InChIInChI=1S/C15H18N2O3/c18-14(19)5-10-8-17(9-10)15(20)12-6-11-3-1-2-4-13(11)16-7-12/h1-4,10,12,16H,5-9H2,(H,18,19)
InChIKeyVUJLVWZWJUTORY-UHFFFAOYSA-N
XLogP1.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 79180699
8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 66369499
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 106586999
(3S)-1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 106901635
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 102933003
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 106901703
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 106901792
2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83192170
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
ethane;ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 91170420
propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902748

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid (CID 106901528) is 2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)C2CNc3ccccc3C2)C1.
What is the InChIKey of 2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is VUJLVWZWJUTORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(19)5-10-8-17(9-10)15(20)12-6-11-3-1-2-4-13(11)16-7-12/h1-4,10,12,16H,5-9H2,(H,18,19).
What are the key properties of 2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 106901528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).