(2R,3S)-3-amino-2-hydroxy-5-methyl-2-[(4-phenylmethoxy-2-pyridinyl)methyl]hexanoic acid

C20H26N2O4 — CID 118549480

IUPAC(2R,3S)-3-amino-2-hydroxy-5-methyl-2-[(4-phenylmethoxy-2-pyridinyl)methyl]hexanoic acid
SMILESCC(C)C[C@H](N)[C@](O)(Cc1cc(OCc2ccccc2)ccn1)C(=O)O
InChIInChI=1S/C20H26N2O4/c1-14(2)10-18(21)20(25,19(23)24)12-16-11-17(8-9-22-16)26-13-15-6-4-3-5-7-15/h3-9,11,14,18,25H,10,12-13,21H2,1-2H3,(H,23,24)/t18-,20+/m0/s1
InChIKeyQCELINXSUWBJTD-AZUAARDMSA-N
MW358.44 g/mol
LogP2.39
Rot. Bonds9

About (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[(4-phenylmethoxy-2-pyridinyl)methyl]hexanoic acid

(2R,3S)-3-amino-2-hydroxy-5-methyl-2-[(4-phenylmethoxy-2-pyridinyl)methyl]hexanoic acid (PubChem CID 118549480) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[(4-phenylmethoxy-2-pyridinyl)methyl]hexanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-amino-2-hydroxy-5-methyl-2-[(4-phenylmethoxy-2-pyridinyl)methyl]hexanoic acid
PubChem CID118549480
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name(2R,3S)-3-amino-2-hydroxy-5-methyl-2-[(4-phenylmethoxy-2-pyridinyl)methyl]hexanoic acid
SMILESCC(C)C[C@H](N)[C@](O)(Cc1cc(OCc2ccccc2)ccn1)C(=O)O
InChIInChI=1S/C20H26N2O4/c1-14(2)10-18(21)20(25,19(23)24)12-16-11-17(8-9-22-16)26-13-15-6-4-3-5-7-15/h3-9,11,14,18,25H,10,12-13,21H2,1-2H3,(H,23,24)/t18-,20+/m0/s1
InChIKeyQCELINXSUWBJTD-AZUAARDMSA-N
XLogP2.39
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[(4-phenylmethoxy-2-pyridinyl)methyl]hexanoic acid?
The IUPAC name of (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[(4-phenylmethoxy-2-pyridinyl)methyl]hexanoic acid (CID 118549480) is (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[(4-phenylmethoxy-2-pyridinyl)methyl]hexanoic acid.
What is the SMILES notation for (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[(4-phenylmethoxy-2-pyridinyl)methyl]hexanoic acid?
The canonical SMILES for (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[(4-phenylmethoxy-2-pyridinyl)methyl]hexanoic acid is CC(C)C[C@H](N)[C@](O)(Cc1cc(OCc2ccccc2)ccn1)C(=O)O.
What is the InChIKey of (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[(4-phenylmethoxy-2-pyridinyl)methyl]hexanoic acid?
The InChIKey is QCELINXSUWBJTD-AZUAARDMSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14(2)10-18(21)20(25,19(23)24)12-16-11-17(8-9-22-16)26-13-15-6-4-3-5-7-15/h3-9,11,14,18,25H,10,12-13,21H2,1-2H3,(H,23,24)/t18-,20+/m0/s1.
What are the key properties of (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[(4-phenylmethoxy-2-pyridinyl)methyl]hexanoic acid?
(2R,3S)-3-amino-2-hydroxy-5-methyl-2-[(4-phenylmethoxy-2-pyridinyl)methyl]hexanoic acid has a molecular weight of 358.44 g/mol, XLogP of 2.39, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[(4-phenylmethoxy-2-pyridinyl)methyl]hexanoic acid is sourced from PubChem (CID 118549480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).