1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid

C14H17NO3 — CID 79368867

IUPAC1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid
SMILESCOc1ccc2c(c1)C(N1CC(C(=O)O)C1)CC2
InChIInChI=1S/C14H17NO3/c1-18-11-4-2-9-3-5-13(12(9)6-11)15-7-10(8-15)14(16)17/h2,4,6,10,13H,3,5,7-8H2,1H3,(H,16,17)
InChIKeyUVKKFHDWEMVEFS-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.70
Rot. Bonds3

About 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid

1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid (PubChem CID 79368867) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid
PubChem CID79368867
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid
SMILESCOc1ccc2c(c1)C(N1CC(C(=O)O)C1)CC2
InChIInChI=1S/C14H17NO3/c1-18-11-4-2-9-3-5-13(12(9)6-11)15-7-10(8-15)14(16)17/h2,4,6,10,13H,3,5,7-8H2,1H3,(H,16,17)
InChIKeyUVKKFHDWEMVEFS-UHFFFAOYSA-N
XLogP1.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]butane-1,2-dione
CID 22375405
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
furan-3-yl-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone
CID 22375412
2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid
CID 65069242
2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid
CID 106745469
10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 23333695
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,5-dimethylpiperazine
CID 79374347
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid
CID 65072102
7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84620843
(4aS,7aS)-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678980

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid (CID 79368867) is 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid is COc1ccc2c(c1)C(N1CC(C(=O)O)C1)CC2.
What is the InChIKey of 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid?
The InChIKey is UVKKFHDWEMVEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-18-11-4-2-9-3-5-13(12(9)6-11)15-7-10(8-15)14(16)17/h2,4,6,10,13H,3,5,7-8H2,1H3,(H,16,17).
What are the key properties of 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid?
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid is sourced from PubChem (CID 79368867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).