2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid

C12H13NO5 — CID 61328207

IUPAC2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid
SMILESO=C(O)COCC(O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H13NO5/c14-10(5-18-6-12(16)17)7-1-2-9-8(3-7)4-11(15)13-9/h1-3,10,14H,4-6H2,(H,13,15)(H,16,17)
InChIKeyPTERPICWSVTPAH-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.32
Rot. Bonds5

About 2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid

2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid (PubChem CID 61328207) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid
PubChem CID61328207
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid
SMILESO=C(O)COCC(O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H13NO5/c14-10(5-18-6-12(16)17)7-1-2-9-8(3-7)4-11(15)13-9/h1-3,10,14H,4-6H2,(H,13,15)(H,16,17)
InChIKeyPTERPICWSVTPAH-UHFFFAOYSA-N
XLogP0.32
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate
CID 61328373
2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid
CID 61328011
3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82116150
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one
CID 61088892
methyl 2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propanoate
CID 171864289
methyl 3,4-dihydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
CID 171895821
N-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide
CID 170830289
3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
CID 82349925
5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one
CID 61083581
ethyl 2-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)acetate
CID 116863121

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid (CID 61328207) is 2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid is O=C(O)COCC(O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid?
The InChIKey is PTERPICWSVTPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c14-10(5-18-6-12(16)17)7-1-2-9-8(3-7)4-11(15)13-9/h1-3,10,14H,4-6H2,(H,13,15)(H,16,17).
What are the key properties of 2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid?
2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid has a molecular weight of 251.24 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid is sourced from PubChem (CID 61328207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).