(2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid

C22H18N2O2 — CID 7723199

IUPAC(2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C22H18N2O2/c25-22(26)20(14-15-8-2-1-3-9-15)24-21-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)21/h1-13,20H,14H2,(H,23,24)(H,25,26)/t20-/m1/s1
InChIKeyLZDIPJARGCCMBS-HXUWFJFHSA-N
MW342.40 g/mol
LogP4.50
Rot. Bonds5

About (2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid

(2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid (PubChem CID 7723199) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid
PubChem CID7723199
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C22H18N2O2/c25-22(26)20(14-15-8-2-1-3-9-15)24-21-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)21/h1-13,20H,14H2,(H,23,24)(H,25,26)/t20-/m1/s1
InChIKeyLZDIPJARGCCMBS-HXUWFJFHSA-N
XLogP4.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[[4,6-bis[(1-carboxy-2-phenylethyl)amino]-1,3,5-triazin-2-yl]amino]-3-phenylpropanoic acid
CID 90051144
(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
CID 70012014
(2S)-2-(1,3-benzothiazol-2-ylamino)-3-phenylpropanoic acid;hydrochloride
CID 86747677
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
2-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-3-phenylpropanoic acid
CID 22116200
(2S,3S)-2-(acridin-9-ylamino)-3-hydroxybutanoic acid
CID 7722645
2-(1-benzothiophen-3-ylamino)-3-phenylpropanoic acid
CID 174596084
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(2S)-2-[[4-[[3-[[[4,6-bis[[(1S)-1-carboxy-2-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]methylamino]-6-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-phenylpropanoic acid
CID 53391728
(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-phenylpropanoic acid
CID 122049525
(2S)-3-phenyl-2-(pyridin-3-ylamino)propanoic acid;dihydrochloride
CID 141048608
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid (CID 7723199) is (2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid is O=C(O)[C@@H](Cc1ccccc1)Nc1c2ccccc2nc2ccccc12.
What is the InChIKey of (2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid?
The InChIKey is LZDIPJARGCCMBS-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-22(26)20(14-15-8-2-1-3-9-15)24-21-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)21/h1-13,20H,14H2,(H,23,24)(H,25,26)/t20-/m1/s1.
What are the key properties of (2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid?
(2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid has a molecular weight of 342.40 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 7723199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).