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

C17H15NO2 — CID 100968375

IUPAC(2R)-2-amino-2-anthracen-2-ylpropanoic acid
SMILESC[C@](N)(C(=O)O)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C17H15NO2/c1-17(18,16(19)20)15-7-6-13-8-11-4-2-3-5-12(11)9-14(13)10-15/h2-10H,18H2,1H3,(H,19,20)/t17-/m1/s1
InChIKeyRDEGUCSZEJXMNI-QGZVFWFLSA-N
MW265.31 g/mol
LogP3.25
Rot. Bonds2

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

(2R)-2-amino-2-anthracen-2-ylpropanoic acid (PubChem CID 100968375) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-2-amino-2-anthracen-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-anthracen-2-ylpropanoic acid
PubChem CID100968375
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(2R)-2-amino-2-anthracen-2-ylpropanoic acid
SMILESC[C@](N)(C(=O)O)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C17H15NO2/c1-17(18,16(19)20)15-7-6-13-8-11-4-2-3-5-12(11)9-14(13)10-15/h2-10H,18H2,1H3,(H,19,20)/t17-/m1/s1
InChIKeyRDEGUCSZEJXMNI-QGZVFWFLSA-N
XLogP3.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-pyren-2-ylpropanoic acid
CID 100968377
methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate
CID 90757177
2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid
CID 57348993
(2R)-2-amino-N-benzyl-N-methyl-2-naphthalen-2-ylpropanamide
CID 22880268
2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837
2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid
CID 43803122
(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride
CID 68715954
2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid
CID 62398445
2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid
CID 55272926
2-fluoro-2-naphthalen-2-ylpropanamide
CID 91088349
2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 82129155

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-anthracen-2-ylpropanoic acid?
The IUPAC name of (2R)-2-amino-2-anthracen-2-ylpropanoic acid (CID 100968375) is (2R)-2-amino-2-anthracen-2-ylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-2-anthracen-2-ylpropanoic acid?
The canonical SMILES for (2R)-2-amino-2-anthracen-2-ylpropanoic acid is C[C@](N)(C(=O)O)c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of (2R)-2-amino-2-anthracen-2-ylpropanoic acid?
The InChIKey is RDEGUCSZEJXMNI-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H15NO2/c1-17(18,16(19)20)15-7-6-13-8-11-4-2-3-5-12(11)9-14(13)10-15/h2-10H,18H2,1H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (2R)-2-amino-2-anthracen-2-ylpropanoic acid?
(2R)-2-amino-2-anthracen-2-ylpropanoic acid has a molecular weight of 265.31 g/mol, XLogP of 3.25, 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-anthracen-2-ylpropanoic acid is sourced from PubChem (CID 100968375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).