(2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate

C19H19N4O4- — CID 7123307

IUPAC(2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate
SMILESCC[C@@H](C(=O)[O-])n1nnc(-c2ccc(OCc3ccccc3)c(OC)c2)n1
InChIInChI=1S/C19H20N4O4/c1-3-15(19(24)25)23-21-18(20-22-23)14-9-10-16(17(11-14)26-2)27-12-13-7-5-4-6-8-13/h4-11,15H,3,12H2,1-2H3,(H,24,25)/p-1/t15-/m0/s1
InChIKeyPDOIVHWVZKGWJZ-HNNXBMFYSA-M
MW367.39 g/mol
LogP1.63
Rot. Bonds8

About (2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate

(2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate (PubChem CID 7123307) has the molecular formula C19H19N4O4- and a molecular weight of 367.39 g/mol. Its IUPAC name is (2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate.

Molecular Properties

Compound Name(2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate
PubChem CID7123307
Molecular FormulaC19H19N4O4-
Molecular Weight367.39 g/mol
Exact Mass367.14
IUPAC Name(2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate
SMILESCC[C@@H](C(=O)[O-])n1nnc(-c2ccc(OCc3ccccc3)c(OC)c2)n1
InChIInChI=1S/C19H20N4O4/c1-3-15(19(24)25)23-21-18(20-22-23)14-9-10-16(17(11-14)26-2)27-12-13-7-5-4-6-8-13/h4-11,15H,3,12H2,1-2H3,(H,24,25)/p-1/t15-/m0/s1
InChIKeyPDOIVHWVZKGWJZ-HNNXBMFYSA-M
XLogP1.63
TPSA102.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 3170398
2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1169409
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
butan-2-yl 3-methoxy-4-phenylmethoxybenzoate
CID 82186247
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate
CID 7353447
ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate
CID 1154159
3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 4559405
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]acetamide
CID 1169410
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
3-(3,4-dimethoxyphenyl)-1-[2-(3-methoxy-4-phenylmethoxyphenyl)-2-oxoethyl]-4-methylsulfanylpyrrole-2,5-dione
CID 134136020

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate?
The IUPAC name of (2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate (CID 7123307) is (2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate.
What is the SMILES notation for (2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate?
The canonical SMILES for (2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate is CC[C@@H](C(=O)[O-])n1nnc(-c2ccc(OCc3ccccc3)c(OC)c2)n1.
What is the InChIKey of (2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate?
The InChIKey is PDOIVHWVZKGWJZ-HNNXBMFYSA-M. The full InChI is InChI=1S/C19H20N4O4/c1-3-15(19(24)25)23-21-18(20-22-23)14-9-10-16(17(11-14)26-2)27-12-13-7-5-4-6-8-13/h4-11,15H,3,12H2,1-2H3,(H,24,25)/p-1/t15-/m0/s1.
What are the key properties of (2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate?
(2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate has a molecular weight of 367.39 g/mol, XLogP of 1.63, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate is sourced from PubChem (CID 7123307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).