(2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid

C23H22N2O4 — CID 146099236

IUPAC(2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid
SMILESO=C(N[C@@H](CCc1ccccc1)C(=O)O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C23H22N2O4/c26-22(25-21(23(27)28)12-11-17-6-2-1-3-7-17)19-9-4-10-20(14-19)29-16-18-8-5-13-24-15-18/h1-10,13-15,21H,11-12,16H2,(H,25,26)(H,27,28)/t21-/m0/s1
InChIKeyODRFIMKPHNRVES-NRFANRHFSA-N
MW390.44 g/mol
LogP3.48
Rot. Bonds9

About (2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid

(2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid (PubChem CID 146099236) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is (2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid
PubChem CID146099236
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name(2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid
SMILESO=C(N[C@@H](CCc1ccccc1)C(=O)O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C23H22N2O4/c26-22(25-21(23(27)28)12-11-17-6-2-1-3-7-17)19-9-4-10-20(14-19)29-16-18-8-5-13-24-15-18/h1-10,13-15,21H,11-12,16H2,(H,25,26)(H,27,28)/t21-/m0/s1
InChIKeyODRFIMKPHNRVES-NRFANRHFSA-N
XLogP3.48
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid
CID 146099183
(3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid
CID 124883319
N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 86815583
(2S)-2-benzamido-4-phenylbutanoic acid
CID 22824842
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
N-(6-phenylmethoxy-3-pyridinyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55880084
(2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119363379
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55776871
3-phenylmethoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 60521820

Frequently Asked Questions

What is the IUPAC name of (2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid?
The IUPAC name of (2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid (CID 146099236) is (2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid.
What is the SMILES notation for (2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid?
The canonical SMILES for (2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid is O=C(N[C@@H](CCc1ccccc1)C(=O)O)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of (2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid?
The InChIKey is ODRFIMKPHNRVES-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-22(25-21(23(27)28)12-11-17-6-2-1-3-7-17)19-9-4-10-20(14-19)29-16-18-8-5-13-24-15-18/h1-10,13-15,21H,11-12,16H2,(H,25,26)(H,27,28)/t21-/m0/s1.
What are the key properties of (2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid?
(2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid has a molecular weight of 390.44 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid is sourced from PubChem (CID 146099236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).