2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid

C16H21NO3 — CID 65069242

IUPAC2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid
SMILESCOc1ccc2c(c1)CCCC2N1CC(CC(=O)O)C1
InChIInChI=1S/C16H21NO3/c1-20-13-5-6-14-12(8-13)3-2-4-15(14)17-9-11(10-17)7-16(18)19/h5-6,8,11,15H,2-4,7,9-10H2,1H3,(H,18,19)
InChIKeyUBWDPQDZHSMIAD-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.48
Rot. Bonds4

About 2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid

2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid (PubChem CID 65069242) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid
PubChem CID65069242
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid
SMILESCOc1ccc2c(c1)CCCC2N1CC(CC(=O)O)C1
InChIInChI=1S/C16H21NO3/c1-20-13-5-6-14-12(8-13)3-2-4-15(14)17-9-11(10-17)7-16(18)19/h5-6,8,11,15H,2-4,7,9-10H2,1H3,(H,18,19)
InChIKeyUBWDPQDZHSMIAD-UHFFFAOYSA-N
XLogP2.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
CID 54914447
(4aS,7aS)-6-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678805
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid
CID 79368867
[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
CID 79248149
2-[6-[2-(4-methoxyphenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 69177503
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
(2S)-2-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid;(2R)-2-[(1R)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 160877367
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-prop-2-enylamino]acetic acid
CID 79286200
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-prop-2-ynylamino]acetic acid
CID 79287526
2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine
CID 79234770
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylpiperazine
CID 64979039
bis((8aR,12aS,13aS)-3-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine);propanedioic acid
CID 173361467

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid (CID 65069242) is 2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid is COc1ccc2c(c1)CCCC2N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid?
The InChIKey is UBWDPQDZHSMIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-20-13-5-6-14-12(8-13)3-2-4-15(14)17-9-11(10-17)7-16(18)19/h5-6,8,11,15H,2-4,7,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid?
2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 65069242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).