(2S,3R)-2-amino-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid

C13H16N2O4 — CID 57327525

IUPAC(2S,3R)-2-amino-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid
SMILESC[C@H]([C@H](N)C(=O)O)[C@]1(O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C13H16N2O4/c1-7(10(14)11(16)17)13(19)8-5-3-4-6-9(8)15(2)12(13)18/h3-7,10,19H,14H2,1-2H3,(H,16,17)/t7-,10+,13-/m1/s1
InChIKeyJGFWUSYLASYAKK-LIEFSGRHSA-N
MW264.28 g/mol
LogP-0.10
Rot. Bonds3

About (2S,3R)-2-amino-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid

(2S,3R)-2-amino-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid (PubChem CID 57327525) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid
PubChem CID57327525
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2S,3R)-2-amino-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid
SMILESC[C@H]([C@H](N)C(=O)O)[C@]1(O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C13H16N2O4/c1-7(10(14)11(16)17)13(19)8-5-3-4-6-9(8)15(2)12(13)18/h3-7,10,19H,14H2,1-2H3,(H,16,17)/t7-,10+,13-/m1/s1
InChIKeyJGFWUSYLASYAKK-LIEFSGRHSA-N
XLogP-0.10
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid?
The IUPAC name of (2S,3R)-2-amino-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid (CID 57327525) is (2S,3R)-2-amino-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid?
The canonical SMILES for (2S,3R)-2-amino-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid is C[C@H]([C@H](N)C(=O)O)[C@]1(O)C(=O)N(C)c2ccccc21.
What is the InChIKey of (2S,3R)-2-amino-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid?
The InChIKey is JGFWUSYLASYAKK-LIEFSGRHSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-7(10(14)11(16)17)13(19)8-5-3-4-6-9(8)15(2)12(13)18/h3-7,10,19H,14H2,1-2H3,(H,16,17)/t7-,10+,13-/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid?
(2S,3R)-2-amino-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid has a molecular weight of 264.28 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid is sourced from PubChem (CID 57327525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).