3-amino-4-[5-[3-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid

C19H20FN5O3 — CID 175585789

IUPAC3-amino-4-[5-[3-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid
SMILESNC(CC(=O)O)Cn1nnc(-c2ccc(OCCc3ccccc3)c(F)c2)n1
InChIInChI=1S/C19H20FN5O3/c20-16-10-14(19-22-24-25(23-19)12-15(21)11-18(26)27)6-7-17(16)28-9-8-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12,21H2,(H,26,27)
InChIKeyVFGIAQAEYJYBLV-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.90
Rot. Bonds9

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

3-amino-4-[5-[3-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid (PubChem CID 175585789) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is 3-amino-4-[5-[3-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid.

Molecular Properties

Compound Name3-amino-4-[5-[3-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid
PubChem CID175585789
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Name3-amino-4-[5-[3-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid
SMILESNC(CC(=O)O)Cn1nnc(-c2ccc(OCCc3ccccc3)c(F)c2)n1
InChIInChI=1S/C19H20FN5O3/c20-16-10-14(19-22-24-25(23-19)12-15(21)11-18(26)27)6-7-17(16)28-9-8-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12,21H2,(H,26,27)
InChIKeyVFGIAQAEYJYBLV-UHFFFAOYSA-N
XLogP1.90
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-4-[5-[3-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid with MolForge

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Related Compounds

(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
CID 118191832
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-isopropyl-2H-tetrazole
CID 2223801
(3S)-3-amino-4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 91810405
(3R)-3-amino-4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 118191834
(3R)-3-amino-4-[5-[4-(4-fluorophenoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 124193679
(3R)-3-amino-4-[5-(4-pentoxyphenyl)tetrazol-2-yl]butanoic acid
CID 124193687
{4-[2-(2-fluorobenzyl)-2H-tetrazol-5-yl]phenoxy}acetic acid
CID 935255
(5-{4-[(2-methylbenzyl)oxy]phenyl}-2H-tetrazol-2-yl)acetic acid
CID 2225035
2-{5-[4-(4-Fluoro-benzyloxy)-phenyl]-tetrazol-2-yl}-ethanol
CID 10495446
(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
(3R)-3-amino-4-[5-[4-(phenylmethoxymethyl)phenyl]tetrazol-2-yl]butanoic acid
CID 164626298

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[5-[3-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid?
The IUPAC name of 3-amino-4-[5-[3-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid (CID 175585789) is 3-amino-4-[5-[3-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid.
What is the SMILES notation for 3-amino-4-[5-[3-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid?
The canonical SMILES for 3-amino-4-[5-[3-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid is NC(CC(=O)O)Cn1nnc(-c2ccc(OCCc3ccccc3)c(F)c2)n1.
What is the InChIKey of 3-amino-4-[5-[3-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid?
The InChIKey is VFGIAQAEYJYBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c20-16-10-14(19-22-24-25(23-19)12-15(21)11-18(26)27)6-7-17(16)28-9-8-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12,21H2,(H,26,27).
What are the key properties of 3-amino-4-[5-[3-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid?
3-amino-4-[5-[3-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid has a molecular weight of 385.40 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[5-[3-fluoro-4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid is sourced from PubChem (CID 175585789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).