(3S)-3-[[6-(2-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid

C23H22N2O4 — CID 90092783

IUPAC(3S)-3-[[6-(2-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
SMILESCOc1ccccc1-c1cccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)n1
InChIInChI=1S/C23H22N2O4/c1-15-8-3-4-9-16(15)20(14-22(26)27)25-23(28)19-12-7-11-18(24-19)17-10-5-6-13-21(17)29-2/h3-13,20H,14H2,1-2H3,(H,25,28)(H,26,27)/t20-/m0/s1
InChIKeyVTSZDUPALFXQOD-FQEVSTJZSA-N
MW390.44 g/mol
LogP4.01
Rot. Bonds7

About (3S)-3-[[6-(2-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid

(3S)-3-[[6-(2-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid (PubChem CID 90092783) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is (3S)-3-[[6-(2-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-[[6-(2-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
PubChem CID90092783
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name(3S)-3-[[6-(2-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
SMILESCOc1ccccc1-c1cccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)n1
InChIInChI=1S/C23H22N2O4/c1-15-8-3-4-9-16(15)20(14-22(26)27)25-23(28)19-12-7-11-18(24-19)17-10-5-6-13-21(17)29-2/h3-13,20H,14H2,1-2H3,(H,25,28)(H,26,27)/t20-/m0/s1
InChIKeyVTSZDUPALFXQOD-FQEVSTJZSA-N
XLogP4.01
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[6-(2-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid?
The IUPAC name of (3S)-3-[[6-(2-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid (CID 90092783) is (3S)-3-[[6-(2-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for (3S)-3-[[6-(2-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for (3S)-3-[[6-(2-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid is COc1ccccc1-c1cccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)n1.
What is the InChIKey of (3S)-3-[[6-(2-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid?
The InChIKey is VTSZDUPALFXQOD-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-8-3-4-9-16(15)20(14-22(26)27)25-23(28)19-12-7-11-18(24-19)17-10-5-6-13-21(17)29-2/h3-13,20H,14H2,1-2H3,(H,25,28)(H,26,27)/t20-/m0/s1.
What are the key properties of (3S)-3-[[6-(2-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid?
(3S)-3-[[6-(2-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid has a molecular weight of 390.44 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[6-(2-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 90092783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).