1-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylic acid

C13H15NO2 — CID 105471083

IUPAC1-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCC2NC1CC1
InChIInChI=1S/C13H15NO2/c15-13(16)9-1-5-11-8(7-9)2-6-12(11)14-10-3-4-10/h1,5,7,10,12,14H,2-4,6H2,(H,15,16)
InChIKeyPZTVJXJWFOVRCK-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.12
Rot. Bonds3

About 1-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylic acid

1-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 105471083) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID105471083
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCC2NC1CC1
InChIInChI=1S/C13H15NO2/c15-13(16)9-1-5-11-8(7-9)2-6-12(11)14-10-3-4-10/h1,5,7,10,12,14H,2-4,6H2,(H,15,16)
InChIKeyPZTVJXJWFOVRCK-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylic acid (CID 105471083) is 1-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(O)c1ccc2c(c1)CCC2NC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is PZTVJXJWFOVRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(16)9-1-5-11-8(7-9)2-6-12(11)14-10-3-4-10/h1,5,7,10,12,14H,2-4,6H2,(H,15,16).
What are the key properties of 1-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
1-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 217.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 105471083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).