1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C17H23NO3 — CID 79235885

IUPAC1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCOc1ccc2c(c1)C(NC1CCCC1)(C(=O)O)CCC2
InChIInChI=1S/C17H23NO3/c1-21-14-9-8-12-5-4-10-17(16(19)20,15(12)11-14)18-13-6-2-3-7-13/h8-9,11,13,18H,2-7,10H2,1H3,(H,19,20)
InChIKeyIKSPODSBMPKDMW-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.84
Rot. Bonds4

About 1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 79235885) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID79235885
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCOc1ccc2c(c1)C(NC1CCCC1)(C(=O)O)CCC2
InChIInChI=1S/C17H23NO3/c1-21-14-9-8-12-5-4-10-17(16(19)20,15(12)11-14)18-13-6-2-3-7-13/h8-9,11,13,18H,2-7,10H2,1H3,(H,19,20)
InChIKeyIKSPODSBMPKDMW-UHFFFAOYSA-N
XLogP2.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 79235885) is 1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid is COc1ccc2c(c1)C(NC1CCCC1)(C(=O)O)CCC2.
What is the InChIKey of 1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is IKSPODSBMPKDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-21-14-9-8-12-5-4-10-17(16(19)20,15(12)11-14)18-13-6-2-3-7-13/h8-9,11,13,18H,2-7,10H2,1H3,(H,19,20).
What are the key properties of 1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 289.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 79235885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).