2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid

C14H19NO2 — CID 61001565

IUPAC2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESCC(C)CNC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C14H19NO2/c1-10(2)9-15-14(13(16)17)7-11-5-3-4-6-12(11)8-14/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyVNCOWWCNPGAMQX-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.85
Rot. Bonds4

About 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid

2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 61001565) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid
PubChem CID61001565
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESCC(C)CNC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C14H19NO2/c1-10(2)9-15-14(13(16)17)7-11-5-3-4-6-12(11)8-14/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyVNCOWWCNPGAMQX-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid (CID 61001565) is 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid is CC(C)CNC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is VNCOWWCNPGAMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)9-15-14(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-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid?
2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 61001565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).