(2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid

C13H12N2O5 — CID 2321165

IUPAC(2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)C(=O)[C@@H]1C(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C13H12N2O5/c1-6(13(19)20)14-12(18)10(16)9-7-4-2-3-5-8(7)15-11(9)17/h2-6,9H,1H3,(H,14,18)(H,15,17)(H,19,20)/t6-,9-/m1/s1
InChIKeyARTYSUSQKLAXHH-HZGVNTEJSA-N
MW276.25 g/mol
LogP-0.12
Rot. Bonds4

About (2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid

(2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid (PubChem CID 2321165) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is (2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid
PubChem CID2321165
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name(2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)C(=O)[C@@H]1C(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C13H12N2O5/c1-6(13(19)20)14-12(18)10(16)9-7-4-2-3-5-8(7)15-11(9)17/h2-6,9H,1H3,(H,14,18)(H,15,17)(H,19,20)/t6-,9-/m1/s1
InChIKeyARTYSUSQKLAXHH-HZGVNTEJSA-N
XLogP-0.12
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze (2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

N-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3698854
N-(4-fluorophenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3331949
N-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 2323488
N-(4-chlorophenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 2272538
N-cyclohexyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 4245545
N-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 2311274
N-(4-ethoxyphenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 4104794
2-oxo-N-phenyl-1,3-dihydroindole-3-carboxamide
CID 134112326
2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid
CID 2323494
(3R)-3-(1-phenylethenyl)-1,3-dihydroindol-2-one
CID 6990829
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 80573232
N-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide
CID 2337508

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid (CID 2321165) is (2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid is C[C@@H](NC(=O)C(=O)[C@@H]1C(=O)Nc2ccccc21)C(=O)O.
What is the InChIKey of (2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid?
The InChIKey is ARTYSUSQKLAXHH-HZGVNTEJSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-6(13(19)20)14-12(18)10(16)9-7-4-2-3-5-8(7)15-11(9)17/h2-6,9H,1H3,(H,14,18)(H,15,17)(H,19,20)/t6-,9-/m1/s1.
What are the key properties of (2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid?
(2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid has a molecular weight of 276.25 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 2321165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).