(6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid

C15H17N5O5 — CID 120536006

IUPAC(6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid
SMILESCOc1ccc(C(=O)N2CC(C(=O)O)O[C@H](C)C2)cc1-n1cnnn1
InChIInChI=1S/C15H17N5O5/c1-9-6-19(7-13(25-9)15(22)23)14(21)10-3-4-12(24-2)11(5-10)20-8-16-17-18-20/h3-5,8-9,13H,6-7H2,1-2H3,(H,22,23)/t9-,13?/m1/s1
InChIKeyLWYDBBJAZFOVNL-CGCSKFHYSA-N
MW347.33 g/mol
LogP-0.01
Rot. Bonds4

About (6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid

(6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid (PubChem CID 120536006) has the molecular formula C15H17N5O5 and a molecular weight of 347.33 g/mol. Its IUPAC name is (6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid
PubChem CID120536006
Molecular FormulaC15H17N5O5
Molecular Weight347.33 g/mol
Exact Mass347.12
IUPAC Name(6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid
SMILESCOc1ccc(C(=O)N2CC(C(=O)O)O[C@H](C)C2)cc1-n1cnnn1
InChIInChI=1S/C15H17N5O5/c1-9-6-19(7-13(25-9)15(22)23)14(21)10-3-4-12(24-2)11(5-10)20-8-16-17-18-20/h3-5,8-9,13H,6-7H2,1-2H3,(H,22,23)/t9-,13?/m1/s1
InChIKeyLWYDBBJAZFOVNL-CGCSKFHYSA-N
XLogP-0.01
TPSA119.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 75501375
3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid
CID 120536453
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone
CID 139001408
7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 139007189
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 75501443
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 139001308
N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
CID 75476338
1-[4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-1,4-diazaspiro[5.5]undecan-1-yl]ethanone
CID 139001313
[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 97348966
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 41292535
3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid
CID 120535194
1-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120515028

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid?
The IUPAC name of (6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid (CID 120536006) is (6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid.
What is the SMILES notation for (6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid?
The canonical SMILES for (6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid is COc1ccc(C(=O)N2CC(C(=O)O)O[C@H](C)C2)cc1-n1cnnn1.
What is the InChIKey of (6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid?
The InChIKey is LWYDBBJAZFOVNL-CGCSKFHYSA-N. The full InChI is InChI=1S/C15H17N5O5/c1-9-6-19(7-13(25-9)15(22)23)14(21)10-3-4-12(24-2)11(5-10)20-8-16-17-18-20/h3-5,8-9,13H,6-7H2,1-2H3,(H,22,23)/t9-,13?/m1/s1.
What are the key properties of (6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid?
(6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid has a molecular weight of 347.33 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid is sourced from PubChem (CID 120536006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).