(2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid

C23H22N2O3 — CID 70278068

IUPAC(2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid
SMILESO=C(N[C@H](CCc1ccncc1)C(=O)O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O3/c26-22(25-20(23(27)28)12-11-17-13-15-24-16-14-17)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,13-16,20-21H,11-12H2,(H,25,26)(H,27,28)/t20-/m1/s1
InChIKeyOMSNCIZMKXMTJO-HXUWFJFHSA-N
MW374.44 g/mol
LogP3.42
Rot. Bonds8

About (2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid

(2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid (PubChem CID 70278068) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid
PubChem CID70278068
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid
SMILESO=C(N[C@H](CCc1ccncc1)C(=O)O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O3/c26-22(25-20(23(27)28)12-11-17-13-15-24-16-14-17)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,13-16,20-21H,11-12H2,(H,25,26)(H,27,28)/t20-/m1/s1
InChIKeyOMSNCIZMKXMTJO-HXUWFJFHSA-N
XLogP3.42
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-4-pyridin-4-ylbutanoic acid
CID 18975889
2-[(3,3-difluoro-2-phenylpropyl)carbamoylamino]-4-pyridin-4-ylbutanoic acid
CID 166274408
(2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid
CID 146096385
(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 2666614
(2S)-2-benzamido-4-phenylbutanoic acid
CID 22824842
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-phenylbutanoic acid
CID 10850225
N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide
CID 97263096
(2S)-2-(2,2-dimethylpropanoylamino)-4-phenylbutanoic acid
CID 104983118
(2R)-4-(2-amino-4-pyridinyl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]butanamide
CID 70241715
2-benzamido-3-pyridin-4-ylpropanoic acid
CID 19602413
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-phenylbutanoic acid
CID 104983349

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid?
The IUPAC name of (2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid (CID 70278068) is (2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid?
The canonical SMILES for (2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid is O=C(N[C@H](CCc1ccncc1)C(=O)O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid?
The InChIKey is OMSNCIZMKXMTJO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-22(25-20(23(27)28)12-11-17-13-15-24-16-14-17)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,13-16,20-21H,11-12H2,(H,25,26)(H,27,28)/t20-/m1/s1.
What are the key properties of (2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid?
(2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid has a molecular weight of 374.44 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid is sourced from PubChem (CID 70278068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).