(2S)-2-amino-3-(10,10-dimethyl-9-phenylanthracen-9-yl)oxypropanoic acid

C25H25NO3 — CID 54420377

IUPAC(2S)-2-amino-3-(10,10-dimethyl-9-phenylanthracen-9-yl)oxypropanoic acid
SMILESCC1(C)c2ccccc2C(OC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc21
InChIInChI=1S/C25H25NO3/c1-24(2)18-12-6-8-14-20(18)25(17-10-4-3-5-11-17,29-16-22(26)23(27)28)21-15-9-7-13-19(21)24/h3-15,22H,16,26H2,1-2H3,(H,27,28)/t22-/m0/s1
InChIKeyWAJSFZWBYZIHDV-QFIPXVFZSA-N
MW387.48 g/mol
LogP4.05
Rot. Bonds5

About (2S)-2-amino-3-(10,10-dimethyl-9-phenylanthracen-9-yl)oxypropanoic acid

(2S)-2-amino-3-(10,10-dimethyl-9-phenylanthracen-9-yl)oxypropanoic acid (PubChem CID 54420377) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (2S)-2-amino-3-(10,10-dimethyl-9-phenylanthracen-9-yl)oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(10,10-dimethyl-9-phenylanthracen-9-yl)oxypropanoic acid
PubChem CID54420377
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name(2S)-2-amino-3-(10,10-dimethyl-9-phenylanthracen-9-yl)oxypropanoic acid
SMILESCC1(C)c2ccccc2C(OC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc21
InChIInChI=1S/C25H25NO3/c1-24(2)18-12-6-8-14-20(18)25(17-10-4-3-5-11-17,29-16-22(26)23(27)28)21-15-9-7-13-19(21)24/h3-15,22H,16,26H2,1-2H3,(H,27,28)/t22-/m0/s1
InChIKeyWAJSFZWBYZIHDV-QFIPXVFZSA-N
XLogP4.05
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(10,10-dimethyl-9-phenylanthracen-9-yl)oxypropanoic acid?
The IUPAC name of (2S)-2-amino-3-(10,10-dimethyl-9-phenylanthracen-9-yl)oxypropanoic acid (CID 54420377) is (2S)-2-amino-3-(10,10-dimethyl-9-phenylanthracen-9-yl)oxypropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(10,10-dimethyl-9-phenylanthracen-9-yl)oxypropanoic acid?
The canonical SMILES for (2S)-2-amino-3-(10,10-dimethyl-9-phenylanthracen-9-yl)oxypropanoic acid is CC1(C)c2ccccc2C(OC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc21.
What is the InChIKey of (2S)-2-amino-3-(10,10-dimethyl-9-phenylanthracen-9-yl)oxypropanoic acid?
The InChIKey is WAJSFZWBYZIHDV-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H25NO3/c1-24(2)18-12-6-8-14-20(18)25(17-10-4-3-5-11-17,29-16-22(26)23(27)28)21-15-9-7-13-19(21)24/h3-15,22H,16,26H2,1-2H3,(H,27,28)/t22-/m0/s1.
What are the key properties of (2S)-2-amino-3-(10,10-dimethyl-9-phenylanthracen-9-yl)oxypropanoic acid?
(2S)-2-amino-3-(10,10-dimethyl-9-phenylanthracen-9-yl)oxypropanoic acid has a molecular weight of 387.48 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(10,10-dimethyl-9-phenylanthracen-9-yl)oxypropanoic acid is sourced from PubChem (CID 54420377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).