2-[[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoic acid

C19H21N3O4 — CID 77473548

IUPAC2-[[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoic acid
SMILESCc1ccccc1CC(NC(=O)c1ccncc1)C(=O)NC(C)C(=O)O
InChIInChI=1S/C19H21N3O4/c1-12-5-3-4-6-15(12)11-16(18(24)21-13(2)19(25)26)22-17(23)14-7-9-20-10-8-14/h3-10,13,16H,11H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeySLSWQRPFOHOPCZ-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.32
Rot. Bonds7

About 2-[[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoic acid

2-[[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoic acid (PubChem CID 77473548) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoic acid
PubChem CID77473548
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoic acid
SMILESCc1ccccc1CC(NC(=O)c1ccncc1)C(=O)NC(C)C(=O)O
InChIInChI=1S/C19H21N3O4/c1-12-5-3-4-6-15(12)11-16(18(24)21-13(2)19(25)26)22-17(23)14-7-9-20-10-8-14/h3-10,13,16H,11H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeySLSWQRPFOHOPCZ-UHFFFAOYSA-N
XLogP1.32
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 118066536
(2S)-2-[[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 102602635
(2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid
CID 71136157
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
CID 16777118
2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid
CID 77473542
2-benzamido-3-pyridin-4-ylpropanoic acid
CID 19602413
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate
CID 2282453
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
2-[[2-[[3-methyl-2-[(4-phenylbenzoyl)amino]butanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 123991972
(2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate
CID 2282480

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoic acid?
The IUPAC name of 2-[[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoic acid (CID 77473548) is 2-[[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-[[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoic acid is Cc1ccccc1CC(NC(=O)c1ccncc1)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoic acid?
The InChIKey is SLSWQRPFOHOPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12-5-3-4-6-15(12)11-16(18(24)21-13(2)19(25)26)22-17(23)14-7-9-20-10-8-14/h3-10,13,16H,11H2,1-2H3,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 2-[[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoic acid?
2-[[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoic acid has a molecular weight of 355.39 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoic acid is sourced from PubChem (CID 77473548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).