(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

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

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Launch Full Analysis

Related Compounds

(3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one
CID 12030607
methyl (2R)-3-bromo-2-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]propanoate
CID 102189808
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
3-amino-3-[(2S)-2-amino-3-methylbutanoyl]-1,5-dimethyl-1,5-benzodiazepine-2,4-dione
CID 160734306
(3S)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one
CID 7281206
(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 92845660
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
methyl (3R)-1-methyl-2-oxo-3-propan-2-ylindole-3-carboxylate
CID 171828755
(3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one
CID 166439822
9b-hydroxy-5-methyl-4-oxo-[1,3]dioxolo[4,5-c]quinoline-3a-carboxamide
CID 141325455
3-(hydroxymethyl)-1-methyl-3-(3-oxobutyl)indol-2-one
CID 132567366

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).