(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid

C11H11NO3 — CID 95438819

IUPAC(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
SMILESC[C@@H](C(=O)O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H11NO3/c1-6(11(14)15)7-2-3-9-8(4-7)5-10(13)12-9/h2-4,6H,5H2,1H3,(H,12,13)(H,14,15)/t6-/m1/s1
InChIKeyQDIUQVIAPLHOGM-ZCFIWIBFSA-N
MW205.21 g/mol
LogP1.37
Rot. Bonds2

About (2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid

(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid (PubChem CID 95438819) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
PubChem CID95438819
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
SMILESC[C@@H](C(=O)O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H11NO3/c1-6(11(14)15)7-2-3-9-8(4-7)5-10(13)12-9/h2-4,6H,5H2,1H3,(H,12,13)(H,14,15)/t6-/m1/s1
InChIKeyQDIUQVIAPLHOGM-ZCFIWIBFSA-N
XLogP1.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116953331
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
2-methyl-3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116918199
3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82116150
N-methyl-2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82475513
2-amino-N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 116850390
methyl 2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propanoate
CID 171864289
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61096734
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid?
The IUPAC name of (2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid (CID 95438819) is (2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid?
The canonical SMILES for (2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid is C[C@@H](C(=O)O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of (2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid?
The InChIKey is QDIUQVIAPLHOGM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6(11(14)15)7-2-3-9-8(4-7)5-10(13)12-9/h2-4,6H,5H2,1H3,(H,12,13)(H,14,15)/t6-/m1/s1.
What are the key properties of (2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid?
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid has a molecular weight of 205.21 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid is sourced from PubChem (CID 95438819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).