4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid

C25H24N2O5 — CID 59608318

IUPAC4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESC[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1ccnc(C(=O)O)c1)C(=O)O
InChIInChI=1S/C25H24N2O5/c1-16(24(29)30)13-21(27-23(28)20-11-12-26-22(15-20)25(31)32)14-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15-16,21H,13-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t16-,21+/m1/s1
InChIKeyOBYPIEMWLGVIIK-IERDGZPVSA-N
MW432.48 g/mol
LogP3.90
Rot. Bonds9

About 4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid

4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 59608318) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID59608318
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESC[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1ccnc(C(=O)O)c1)C(=O)O
InChIInChI=1S/C25H24N2O5/c1-16(24(29)30)13-21(27-23(28)20-11-12-26-22(15-20)25(31)32)14-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15-16,21H,13-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t16-,21+/m1/s1
InChIKeyOBYPIEMWLGVIIK-IERDGZPVSA-N
XLogP3.90
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-4-carboxylic acid
CID 59608101
(2R,4S)-2-methyl-5-(4-phenylphenyl)-4-(pyridazine-4-carbonylamino)pentanoic acid
CID 59608201
5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 122420570
(2R)-2-methyl-5-(4-phenylphenyl)-4-(pyrimidine-5-carbonylamino)pentanoic acid
CID 126724309
4-[[(2R)-1-carboxy-3-[4-(3-chlorophenyl)phenyl]propan-2-yl]carbamoyl]pyridine-2-carboxylic acid
CID 59607578
3-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1H-pyrazole-5-carboxylic acid
CID 59608270
3-(carboxymethoxy)-5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]benzoic acid
CID 59608166
(2R,4S)-4-(1H-imidazole-2-carbonylamino)-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 59608323
5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]thiophene-2-carboxylic acid
CID 59608190
(2R,4S)-2-methyl-5-(4-phenylphenyl)-4-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid
CID 59608109
(2R,4S)-2-methyl-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
CID 59608337
(2R,4S)-2-methyl-4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid
CID 135973209

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid (CID 59608318) is 4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid is C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1ccnc(C(=O)O)c1)C(=O)O.
What is the InChIKey of 4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is OBYPIEMWLGVIIK-IERDGZPVSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-16(24(29)30)13-21(27-23(28)20-11-12-26-22(15-20)25(31)32)14-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15-16,21H,13-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t16-,21+/m1/s1.
What are the key properties of 4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid?
4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 432.48 g/mol, XLogP of 3.90, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 59608318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).