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

C20H26N2O5 — CID 118549754

IUPAC(2R,3S)-3-amino-2-hydroxy-2-[[4-(3-methoxyphenoxy)-2-pyridinyl]methyl]-5-methylhexanoic acid
SMILESCOc1cccc(Oc2ccnc(C[C@](O)(C(=O)O)[C@@H](N)CC(C)C)c2)c1
InChIInChI=1S/C20H26N2O5/c1-13(2)9-18(21)20(25,19(23)24)12-14-10-17(7-8-22-14)27-16-6-4-5-15(11-16)26-3/h4-8,10-11,13,18,25H,9,12,21H2,1-3H3,(H,23,24)/t18-,20+/m0/s1
InChIKeyFQRCUIIZRAPJHO-AZUAARDMSA-N
MW374.44 g/mol
LogP2.61
Rot. Bonds9

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

(2R,3S)-3-amino-2-hydroxy-2-[[4-(3-methoxyphenoxy)-2-pyridinyl]methyl]-5-methylhexanoic acid (PubChem CID 118549754) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2R,3S)-3-amino-2-hydroxy-2-[[4-(3-methoxyphenoxy)-2-pyridinyl]methyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-amino-2-hydroxy-2-[[4-(3-methoxyphenoxy)-2-pyridinyl]methyl]-5-methylhexanoic acid
PubChem CID118549754
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name(2R,3S)-3-amino-2-hydroxy-2-[[4-(3-methoxyphenoxy)-2-pyridinyl]methyl]-5-methylhexanoic acid
SMILESCOc1cccc(Oc2ccnc(C[C@](O)(C(=O)O)[C@@H](N)CC(C)C)c2)c1
InChIInChI=1S/C20H26N2O5/c1-13(2)9-18(21)20(25,19(23)24)12-14-10-17(7-8-22-14)27-16-6-4-5-15(11-16)26-3/h4-8,10-11,13,18,25H,9,12,21H2,1-3H3,(H,23,24)/t18-,20+/m0/s1
InChIKeyFQRCUIIZRAPJHO-AZUAARDMSA-N
XLogP2.61
TPSA114.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S)-3-amino-2-hydroxy-2-[[4-(3-methoxyphenoxy)-2-pyridinyl]methyl]-5-methylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-phenylmethoxyethoxy)-2-pyridinyl]methyl]hexanoic acid
CID 118549761
(2S,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]hexanoic acid
CID 126737044
(2R,3S)-3-amino-2-hydroxy-2-[[4-[2-(2-methoxyphenyl)ethyl]-2-pyridinyl]methyl]-5-methylhexanoic acid
CID 131983922
(3S)-3-amino-2-hydroxy-5-methyl-2-[(4-pentyl-2-pyridinyl)methyl]hexanoic acid
CID 175043054
(2R,3S)-3-amino-2,4-dihydroxy-2-[[4-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]butanoic acid
CID 144968288
1-methoxy-3-(4-methylpentan-2-yloxy)benzene
CID 102109501
(2S)-2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-methylpentanamide;dihydrochloride
CID 119847644
[4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine
CID 62292280
4-(3-methoxyphenoxy)pyridine-2-carbothioamide
CID 62925939
(3S)-3-amino-2-[(7-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)methyl]-2-hydroxy-5-methylhexanoic acid
CID 175043115
methyl (2S)-2-[3-(3-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methylpentanoate
CID 66893466
[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61255053

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-2-hydroxy-2-[[4-(3-methoxyphenoxy)-2-pyridinyl]methyl]-5-methylhexanoic acid?
The IUPAC name of (2R,3S)-3-amino-2-hydroxy-2-[[4-(3-methoxyphenoxy)-2-pyridinyl]methyl]-5-methylhexanoic acid (CID 118549754) is (2R,3S)-3-amino-2-hydroxy-2-[[4-(3-methoxyphenoxy)-2-pyridinyl]methyl]-5-methylhexanoic acid.
What is the SMILES notation for (2R,3S)-3-amino-2-hydroxy-2-[[4-(3-methoxyphenoxy)-2-pyridinyl]methyl]-5-methylhexanoic acid?
The canonical SMILES for (2R,3S)-3-amino-2-hydroxy-2-[[4-(3-methoxyphenoxy)-2-pyridinyl]methyl]-5-methylhexanoic acid is COc1cccc(Oc2ccnc(C[C@](O)(C(=O)O)[C@@H](N)CC(C)C)c2)c1.
What is the InChIKey of (2R,3S)-3-amino-2-hydroxy-2-[[4-(3-methoxyphenoxy)-2-pyridinyl]methyl]-5-methylhexanoic acid?
The InChIKey is FQRCUIIZRAPJHO-AZUAARDMSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-13(2)9-18(21)20(25,19(23)24)12-14-10-17(7-8-22-14)27-16-6-4-5-15(11-16)26-3/h4-8,10-11,13,18,25H,9,12,21H2,1-3H3,(H,23,24)/t18-,20+/m0/s1.
What are the key properties of (2R,3S)-3-amino-2-hydroxy-2-[[4-(3-methoxyphenoxy)-2-pyridinyl]methyl]-5-methylhexanoic acid?
(2R,3S)-3-amino-2-hydroxy-2-[[4-(3-methoxyphenoxy)-2-pyridinyl]methyl]-5-methylhexanoic acid has a molecular weight of 374.44 g/mol, XLogP of 2.61, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-2-hydroxy-2-[[4-(3-methoxyphenoxy)-2-pyridinyl]methyl]-5-methylhexanoic acid is sourced from PubChem (CID 118549754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).