(3R)-3-amino-4-[5-[4-(phenylmethoxymethyl)phenyl]tetrazol-2-yl]butanoic acid

C19H21N5O3 — CID 164626298

IUPAC(3R)-3-amino-4-[5-[4-(phenylmethoxymethyl)phenyl]tetrazol-2-yl]butanoic acid
SMILESN[C@H](CC(=O)O)Cn1nnc(-c2ccc(COCc3ccccc3)cc2)n1
InChIInChI=1S/C19H21N5O3/c20-17(10-18(25)26)11-24-22-19(21-23-24)16-8-6-15(7-9-16)13-27-12-14-4-2-1-3-5-14/h1-9,17H,10-13,20H2,(H,25,26)/t17-/m1/s1
InChIKeyUUJRINRJMOENDZ-QGZVFWFLSA-N
MW367.41 g/mol
LogP1.86
Rot. Bonds9

About (3R)-3-amino-4-[5-[4-(phenylmethoxymethyl)phenyl]tetrazol-2-yl]butanoic acid

(3R)-3-amino-4-[5-[4-(phenylmethoxymethyl)phenyl]tetrazol-2-yl]butanoic acid (PubChem CID 164626298) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is (3R)-3-amino-4-[5-[4-(phenylmethoxymethyl)phenyl]tetrazol-2-yl]butanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-4-[5-[4-(phenylmethoxymethyl)phenyl]tetrazol-2-yl]butanoic acid
PubChem CID164626298
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name(3R)-3-amino-4-[5-[4-(phenylmethoxymethyl)phenyl]tetrazol-2-yl]butanoic acid
SMILESN[C@H](CC(=O)O)Cn1nnc(-c2ccc(COCc3ccccc3)cc2)n1
InChIInChI=1S/C19H21N5O3/c20-17(10-18(25)26)11-24-22-19(21-23-24)16-8-6-15(7-9-16)13-27-12-14-4-2-1-3-5-14/h1-9,17H,10-13,20H2,(H,25,26)/t17-/m1/s1
InChIKeyUUJRINRJMOENDZ-QGZVFWFLSA-N
XLogP1.86
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-3-amino-4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 118191834
(3S)-3-amino-4-[5-[4-[(2R)-1-phenylpropan-2-yl]oxyphenyl]tetrazol-2-yl]butanoic acid
CID 164621539
(3S)-3-amino-4-[5-[4-(phenylmethoxymethyl)phenyl]tetrazol-2-yl]butanoic acid
CID 164622370
(3S)-3-amino-4-[5-[3-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 172216488
(3S)-3-amino-4-[5-[2-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 172216830
3-Amino-4-[5-[3-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 175585789
3-Amino-4-[5-[2-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 175585852
3-Amino-4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 123525821
(3S)-3-amino-4-[5-(3-phenoxyphenyl)tetrazol-2-yl]butanoic acid
CID 124193682
(3R)-3-amino-4-[5-[3-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 124193684
(3R)-3-amino-4-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid
CID 124193686
(3R)-3-amino-4-[5-(3-phenylmethoxyphenyl)tetrazol-2-yl]butanoic acid
CID 124193688

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-[5-[4-(phenylmethoxymethyl)phenyl]tetrazol-2-yl]butanoic acid?
The IUPAC name of (3R)-3-amino-4-[5-[4-(phenylmethoxymethyl)phenyl]tetrazol-2-yl]butanoic acid (CID 164626298) is (3R)-3-amino-4-[5-[4-(phenylmethoxymethyl)phenyl]tetrazol-2-yl]butanoic acid.
What is the SMILES notation for (3R)-3-amino-4-[5-[4-(phenylmethoxymethyl)phenyl]tetrazol-2-yl]butanoic acid?
The canonical SMILES for (3R)-3-amino-4-[5-[4-(phenylmethoxymethyl)phenyl]tetrazol-2-yl]butanoic acid is N[C@H](CC(=O)O)Cn1nnc(-c2ccc(COCc3ccccc3)cc2)n1.
What is the InChIKey of (3R)-3-amino-4-[5-[4-(phenylmethoxymethyl)phenyl]tetrazol-2-yl]butanoic acid?
The InChIKey is UUJRINRJMOENDZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N5O3/c20-17(10-18(25)26)11-24-22-19(21-23-24)16-8-6-15(7-9-16)13-27-12-14-4-2-1-3-5-14/h1-9,17H,10-13,20H2,(H,25,26)/t17-/m1/s1.
What are the key properties of (3R)-3-amino-4-[5-[4-(phenylmethoxymethyl)phenyl]tetrazol-2-yl]butanoic acid?
(3R)-3-amino-4-[5-[4-(phenylmethoxymethyl)phenyl]tetrazol-2-yl]butanoic acid has a molecular weight of 367.41 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-[5-[4-(phenylmethoxymethyl)phenyl]tetrazol-2-yl]butanoic acid is sourced from PubChem (CID 164626298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).