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

C15H19NO2 — CID 61001988

IUPAC1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(NC2CCCC2)CCc2ccccc21
InChIInChI=1S/C15H19NO2/c17-14(18)15(16-12-6-2-3-7-12)10-9-11-5-1-4-8-13(11)15/h1,4-5,8,12,16H,2-3,6-7,9-10H2,(H,17,18)
InChIKeyDTUMPFJUYYFCCL-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.44
Rot. Bonds3

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

1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid (PubChem CID 61001988) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid
PubChem CID61001988
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(NC2CCCC2)CCc2ccccc21
InChIInChI=1S/C15H19NO2/c17-14(18)15(16-12-6-2-3-7-12)10-9-11-5-1-4-8-13(11)15/h1,4-5,8,12,16H,2-3,6-7,9-10H2,(H,17,18)
InChIKeyDTUMPFJUYYFCCL-UHFFFAOYSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid (CID 61001988) is 1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid is O=C(O)C1(NC2CCCC2)CCc2ccccc21.
What is the InChIKey of 1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is DTUMPFJUYYFCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14(18)15(16-12-6-2-3-7-12)10-9-11-5-1-4-8-13(11)15/h1,4-5,8,12,16H,2-3,6-7,9-10H2,(H,17,18).
What are the key properties of 1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid?
1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 61001988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).