2-[2-amino-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethoxy]acetic acid

C14H18N2O4 — CID 80500392

IUPAC2-[2-amino-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethoxy]acetic acid
SMILESCC1(C)C(=O)Nc2ccc(C(N)COCC(=O)O)cc21
InChIInChI=1S/C14H18N2O4/c1-14(2)9-5-8(3-4-11(9)16-13(14)19)10(15)6-20-7-12(17)18/h3-5,10H,6-7,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyQWJIFWVNWQJZFP-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.02
Rot. Bonds5

About 2-[2-amino-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethoxy]acetic acid

2-[2-amino-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethoxy]acetic acid (PubChem CID 80500392) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[2-amino-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-amino-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethoxy]acetic acid
PubChem CID80500392
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[2-amino-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethoxy]acetic acid
SMILESCC1(C)C(=O)Nc2ccc(C(N)COCC(=O)O)cc21
InChIInChI=1S/C14H18N2O4/c1-14(2)9-5-8(3-4-11(9)16-13(14)19)10(15)6-20-7-12(17)18/h3-5,10H,6-7,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyQWJIFWVNWQJZFP-UHFFFAOYSA-N
XLogP1.02
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-amino-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethoxy]acetic acid (CID 80500392) is 2-[2-amino-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-amino-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-amino-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethoxy]acetic acid is CC1(C)C(=O)Nc2ccc(C(N)COCC(=O)O)cc21.
What is the InChIKey of 2-[2-amino-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethoxy]acetic acid?
The InChIKey is QWJIFWVNWQJZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(2)9-5-8(3-4-11(9)16-13(14)19)10(15)6-20-7-12(17)18/h3-5,10H,6-7,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[2-amino-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethoxy]acetic acid?
2-[2-amino-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethoxy]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethoxy]acetic acid is sourced from PubChem (CID 80500392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).