(2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]hexanoic acid

C20H33N3O4 — CID 118549763

IUPAC(2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]hexanoic acid
SMILESCC(C)C[C@H](N)[C@](O)(Cc1cc(OCCN2CCCCC2)ccn1)C(=O)O
InChIInChI=1S/C20H33N3O4/c1-15(2)12-18(21)20(26,19(24)25)14-16-13-17(6-7-22-16)27-11-10-23-8-4-3-5-9-23/h6-7,13,15,18,26H,3-5,8-12,14,21H2,1-2H3,(H,24,25)/t18-,20+/m0/s1
InChIKeyUNSWNZXUBQDPFX-AZUAARDMSA-N
MW379.50 g/mol
LogP1.68
Rot. Bonds10

About (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]hexanoic acid

(2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]hexanoic acid (PubChem CID 118549763) has the molecular formula C20H33N3O4 and a molecular weight of 379.50 g/mol. Its IUPAC name is (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]hexanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]hexanoic acid
PubChem CID118549763
Molecular FormulaC20H33N3O4
Molecular Weight379.50 g/mol
Exact Mass379.25
IUPAC Name(2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]hexanoic acid
SMILESCC(C)C[C@H](N)[C@](O)(Cc1cc(OCCN2CCCCC2)ccn1)C(=O)O
InChIInChI=1S/C20H33N3O4/c1-15(2)12-18(21)20(26,19(24)25)14-16-13-17(6-7-22-16)27-11-10-23-8-4-3-5-9-23/h6-7,13,15,18,26H,3-5,8-12,14,21H2,1-2H3,(H,24,25)/t18-,20+/m0/s1
InChIKeyUNSWNZXUBQDPFX-AZUAARDMSA-N
XLogP1.68
TPSA108.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]hexanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-phenylmethoxyethoxy)-2-pyridinyl]methyl]hexanoic acid
CID 118549761
3-amino-2-hydroxy-5-methyl-2-[[4-(2-phenylmethoxyethoxy)-2-pyridinyl]methyl]hexanoic acid
CID 146556982
(2R,3S)-3-amino-2-hydroxy-2-[[4-(3-methoxyphenoxy)-2-pyridinyl]methyl]-5-methylhexanoic acid
CID 118549754
(3S)-3-amino-2-hydroxy-5-methyl-2-[(4-pentyl-2-pyridinyl)methyl]hexanoic acid
CID 175043054
3-amino-2-hydroxy-5-methyl-2-[(4-pentyl-2-pyridinyl)methyl]hexanoic acid
CID 175043052
2-methyl-N-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62297544
(2R,3S)-3-amino-2,4-dihydroxy-2-[[4-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]butanoic acid
CID 144968288
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
2-chloro-4-(2-pyrrolidin-1-ylethoxy)pyridine
CID 63778456
(2R,3S)-3-amino-4-[[(Z)-3-aminoprop-1-enyl]amino]-2-hydroxy-2-[[4-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]butanoic acid
CID 126762725
(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 107719023

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]hexanoic acid?
The IUPAC name of (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]hexanoic acid (CID 118549763) is (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]hexanoic acid.
What is the SMILES notation for (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]hexanoic acid?
The canonical SMILES for (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]hexanoic acid is CC(C)C[C@H](N)[C@](O)(Cc1cc(OCCN2CCCCC2)ccn1)C(=O)O.
What is the InChIKey of (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]hexanoic acid?
The InChIKey is UNSWNZXUBQDPFX-AZUAARDMSA-N. The full InChI is InChI=1S/C20H33N3O4/c1-15(2)12-18(21)20(26,19(24)25)14-16-13-17(6-7-22-16)27-11-10-23-8-4-3-5-9-23/h6-7,13,15,18,26H,3-5,8-12,14,21H2,1-2H3,(H,24,25)/t18-,20+/m0/s1.
What are the key properties of (2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]hexanoic acid?
(2R,3S)-3-amino-2-hydroxy-5-methyl-2-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]hexanoic acid has a molecular weight of 379.50 g/mol, XLogP of 1.68, 10 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-5-methyl-2-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]hexanoic acid is sourced from PubChem (CID 118549763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).