2-(9,10-dihydroanthracen-9-ylamino)propanoic acid

C17H17NO2 — CID 62921269

IUPAC2-(9,10-dihydroanthracen-9-ylamino)propanoic acid
SMILESCC(NC1c2ccccc2Cc2ccccc21)C(=O)O
InChIInChI=1S/C17H17NO2/c1-11(17(19)20)18-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-9,11,16,18H,10H2,1H3,(H,19,20)
InChIKeyJHFRKFVGWPQWSM-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.74
Rot. Bonds3

About 2-(9,10-dihydroanthracen-9-ylamino)propanoic acid

2-(9,10-dihydroanthracen-9-ylamino)propanoic acid (PubChem CID 62921269) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(9,10-dihydroanthracen-9-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(9,10-dihydroanthracen-9-ylamino)propanoic acid
PubChem CID62921269
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(9,10-dihydroanthracen-9-ylamino)propanoic acid
SMILESCC(NC1c2ccccc2Cc2ccccc21)C(=O)O
InChIInChI=1S/C17H17NO2/c1-11(17(19)20)18-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-9,11,16,18H,10H2,1H3,(H,19,20)
InChIKeyJHFRKFVGWPQWSM-UHFFFAOYSA-N
XLogP2.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dihydroanthracen-9-ylamino)propanoic acid?
The IUPAC name of 2-(9,10-dihydroanthracen-9-ylamino)propanoic acid (CID 62921269) is 2-(9,10-dihydroanthracen-9-ylamino)propanoic acid.
What is the SMILES notation for 2-(9,10-dihydroanthracen-9-ylamino)propanoic acid?
The canonical SMILES for 2-(9,10-dihydroanthracen-9-ylamino)propanoic acid is CC(NC1c2ccccc2Cc2ccccc21)C(=O)O.
What is the InChIKey of 2-(9,10-dihydroanthracen-9-ylamino)propanoic acid?
The InChIKey is JHFRKFVGWPQWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11(17(19)20)18-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-9,11,16,18H,10H2,1H3,(H,19,20).
What are the key properties of 2-(9,10-dihydroanthracen-9-ylamino)propanoic acid?
2-(9,10-dihydroanthracen-9-ylamino)propanoic acid has a molecular weight of 267.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-dihydroanthracen-9-ylamino)propanoic acid is sourced from PubChem (CID 62921269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).