2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid

C13H15NO4 — CID 650247

IUPAC2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C13H15NO4/c15-12(7-18-8-13(16)17)14-11-5-4-9-2-1-3-10(9)6-11/h4-6H,1-3,7-8H2,(H,14,15)(H,16,17)
InChIKeyBNAQHFYNXZSATQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.22
Rot. Bonds5

About 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid

2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid (PubChem CID 650247) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid
PubChem CID650247
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C13H15NO4/c15-12(7-18-8-13(16)17)14-11-5-4-9-2-1-3-10(9)6-11/h4-6H,1-3,7-8H2,(H,14,15)(H,16,17)
InChIKeyBNAQHFYNXZSATQ-UHFFFAOYSA-N
XLogP1.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604888
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749895
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-hydroxyphenoxy)acetamide
CID 78780058
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide
CID 2627640
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 2710612
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethoxy]acetic acid
CID 2809500
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (E)-but-2-enoate
CID 7981079
2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 115166897
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108614
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-methylbenzoate
CID 2640652

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid (CID 650247) is 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid?
The InChIKey is BNAQHFYNXZSATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12(7-18-8-13(16)17)14-11-5-4-9-2-1-3-10(9)6-11/h4-6H,1-3,7-8H2,(H,14,15)(H,16,17).
What are the key properties of 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid?
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid has a molecular weight of 249.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 650247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).