(2S,4S,6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid

C11H21NO4 — CID 123343145

IUPAC(2S,4S,6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid
SMILESCCC(=O)C[C@@H](O)C[C@@H](C)C[C@H](N)C(=O)O
InChIInChI=1S/C11H21NO4/c1-3-8(13)6-9(14)4-7(2)5-10(12)11(15)16/h7,9-10,14H,3-6,12H2,1-2H3,(H,15,16)/t7-,9+,10+/m1/s1
InChIKeyHJQMYHUTXHUJNS-JEZHCXPESA-N
MW231.29 g/mol
LogP0.54
Rot. Bonds8

About (2S,4S,6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid

(2S,4S,6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid (PubChem CID 123343145) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2S,4S,6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid.

Molecular Properties

Compound Name(2S,4S,6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid
PubChem CID123343145
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(2S,4S,6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid
SMILESCCC(=O)C[C@@H](O)C[C@@H](C)C[C@H](N)C(=O)O
InChIInChI=1S/C11H21NO4/c1-3-8(13)6-9(14)4-7(2)5-10(12)11(15)16/h7,9-10,14H,3-6,12H2,1-2H3,(H,15,16)/t7-,9+,10+/m1/s1
InChIKeyHJQMYHUTXHUJNS-JEZHCXPESA-N
XLogP0.54
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid?
The IUPAC name of (2S,4S,6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid (CID 123343145) is (2S,4S,6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid.
What is the SMILES notation for (2S,4S,6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid?
The canonical SMILES for (2S,4S,6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid is CCC(=O)C[C@@H](O)C[C@@H](C)C[C@H](N)C(=O)O.
What is the InChIKey of (2S,4S,6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid?
The InChIKey is HJQMYHUTXHUJNS-JEZHCXPESA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-8(13)6-9(14)4-7(2)5-10(12)11(15)16/h7,9-10,14H,3-6,12H2,1-2H3,(H,15,16)/t7-,9+,10+/m1/s1.
What are the key properties of (2S,4S,6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid?
(2S,4S,6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid is sourced from PubChem (CID 123343145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).