(2R)-2-amino-2-pyren-2-ylpropanoic acid

C19H15NO2 — CID 100968377

IUPAC(2R)-2-amino-2-pyren-2-ylpropanoic acid
SMILESC[C@](N)(C(=O)O)c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C19H15NO2/c1-19(20,18(21)22)15-9-13-7-5-11-3-2-4-12-6-8-14(10-15)17(13)16(11)12/h2-10H,20H2,1H3,(H,21,22)/t19-/m1/s1
InChIKeyOYWHEFMEQOKNNK-LJQANCHMSA-N
MW289.33 g/mol
LogP3.84
Rot. Bonds2

About (2R)-2-amino-2-pyren-2-ylpropanoic acid

(2R)-2-amino-2-pyren-2-ylpropanoic acid (PubChem CID 100968377) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is (2R)-2-amino-2-pyren-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-pyren-2-ylpropanoic acid
PubChem CID100968377
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name(2R)-2-amino-2-pyren-2-ylpropanoic acid
SMILESC[C@](N)(C(=O)O)c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C19H15NO2/c1-19(20,18(21)22)15-9-13-7-5-11-3-2-4-12-6-8-14(10-15)17(13)16(11)12/h2-10H,20H2,1H3,(H,21,22)/t19-/m1/s1
InChIKeyOYWHEFMEQOKNNK-LJQANCHMSA-N
XLogP3.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-pyren-2-ylpropanoic acid?
The IUPAC name of (2R)-2-amino-2-pyren-2-ylpropanoic acid (CID 100968377) is (2R)-2-amino-2-pyren-2-ylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-2-pyren-2-ylpropanoic acid?
The canonical SMILES for (2R)-2-amino-2-pyren-2-ylpropanoic acid is C[C@](N)(C(=O)O)c1cc2ccc3cccc4ccc(c1)c2c34.
What is the InChIKey of (2R)-2-amino-2-pyren-2-ylpropanoic acid?
The InChIKey is OYWHEFMEQOKNNK-LJQANCHMSA-N. The full InChI is InChI=1S/C19H15NO2/c1-19(20,18(21)22)15-9-13-7-5-11-3-2-4-12-6-8-14(10-15)17(13)16(11)12/h2-10H,20H2,1H3,(H,21,22)/t19-/m1/s1.
What are the key properties of (2R)-2-amino-2-pyren-2-ylpropanoic acid?
(2R)-2-amino-2-pyren-2-ylpropanoic acid has a molecular weight of 289.33 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-pyren-2-ylpropanoic acid is sourced from PubChem (CID 100968377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).