(2S,3R)-3-amino-2-hydroxy-4-phenyl-N-[phenyl(2H-tetrazol-5-yl)methyl]butanamide

C18H20N6O2 — CID 172569383

IUPAC(2S,3R)-3-amino-2-hydroxy-4-phenyl-N-[phenyl(2H-tetrazol-5-yl)methyl]butanamide
SMILESN[C@H](Cc1ccccc1)[C@H](O)C(=O)NC(c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C18H20N6O2/c19-14(11-12-7-3-1-4-8-12)16(25)18(26)20-15(17-21-23-24-22-17)13-9-5-2-6-10-13/h1-10,14-16,25H,11,19H2,(H,20,26)(H,21,22,23,24)/t14-,15?,16+/m1/s1
InChIKeyLYRHASYGCKMKOK-TUOGLVOQSA-N
MW352.40 g/mol
LogP0.34
Rot. Bonds7

About (2S,3R)-3-amino-2-hydroxy-4-phenyl-N-[phenyl(2H-tetrazol-5-yl)methyl]butanamide

(2S,3R)-3-amino-2-hydroxy-4-phenyl-N-[phenyl(2H-tetrazol-5-yl)methyl]butanamide (PubChem CID 172569383) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is (2S,3R)-3-amino-2-hydroxy-4-phenyl-N-[phenyl(2H-tetrazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S,3R)-3-amino-2-hydroxy-4-phenyl-N-[phenyl(2H-tetrazol-5-yl)methyl]butanamide
PubChem CID172569383
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name(2S,3R)-3-amino-2-hydroxy-4-phenyl-N-[phenyl(2H-tetrazol-5-yl)methyl]butanamide
SMILESN[C@H](Cc1ccccc1)[C@H](O)C(=O)NC(c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C18H20N6O2/c19-14(11-12-7-3-1-4-8-12)16(25)18(26)20-15(17-21-23-24-22-17)13-9-5-2-6-10-13/h1-10,14-16,25H,11,19H2,(H,20,26)(H,21,22,23,24)/t14-,15?,16+/m1/s1
InChIKeyLYRHASYGCKMKOK-TUOGLVOQSA-N
XLogP0.34
TPSA129.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-2-hydroxy-4-phenyl-N-[phenyl(2H-tetrazol-5-yl)methyl]butanamide?
The IUPAC name of (2S,3R)-3-amino-2-hydroxy-4-phenyl-N-[phenyl(2H-tetrazol-5-yl)methyl]butanamide (CID 172569383) is (2S,3R)-3-amino-2-hydroxy-4-phenyl-N-[phenyl(2H-tetrazol-5-yl)methyl]butanamide.
What is the SMILES notation for (2S,3R)-3-amino-2-hydroxy-4-phenyl-N-[phenyl(2H-tetrazol-5-yl)methyl]butanamide?
The canonical SMILES for (2S,3R)-3-amino-2-hydroxy-4-phenyl-N-[phenyl(2H-tetrazol-5-yl)methyl]butanamide is N[C@H](Cc1ccccc1)[C@H](O)C(=O)NC(c1ccccc1)c1nn[nH]n1.
What is the InChIKey of (2S,3R)-3-amino-2-hydroxy-4-phenyl-N-[phenyl(2H-tetrazol-5-yl)methyl]butanamide?
The InChIKey is LYRHASYGCKMKOK-TUOGLVOQSA-N. The full InChI is InChI=1S/C18H20N6O2/c19-14(11-12-7-3-1-4-8-12)16(25)18(26)20-15(17-21-23-24-22-17)13-9-5-2-6-10-13/h1-10,14-16,25H,11,19H2,(H,20,26)(H,21,22,23,24)/t14-,15?,16+/m1/s1.
What are the key properties of (2S,3R)-3-amino-2-hydroxy-4-phenyl-N-[phenyl(2H-tetrazol-5-yl)methyl]butanamide?
(2S,3R)-3-amino-2-hydroxy-4-phenyl-N-[phenyl(2H-tetrazol-5-yl)methyl]butanamide has a molecular weight of 352.40 g/mol, XLogP of 0.34, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-2-hydroxy-4-phenyl-N-[phenyl(2H-tetrazol-5-yl)methyl]butanamide is sourced from PubChem (CID 172569383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).