2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid

C14H19NO3 — CID 114992549

IUPAC2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESCOCC(C)NC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C14H19NO3/c1-10(9-18-2)15-14(13(16)17)7-11-5-3-4-6-12(11)8-14/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyCHPOSLBJUYOWLB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.23
Rot. Bonds5

About 2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid

2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 114992549) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid
PubChem CID114992549
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESCOCC(C)NC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C14H19NO3/c1-10(9-18-2)15-14(13(16)17)7-11-5-3-4-6-12(11)8-14/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyCHPOSLBJUYOWLB-UHFFFAOYSA-N
XLogP1.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid (CID 114992549) is 2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid is COCC(C)NC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is CHPOSLBJUYOWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(9-18-2)15-14(13(16)17)7-11-5-3-4-6-12(11)8-14/h3-6,10,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid?
2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 114992549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).