5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid

C23H21NO7 — CID 67977223

IUPAC5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NC(Cc2ccc(-c3ccccc3)cc2)C[C@@H](O)C(=O)O)o1
InChIInChI=1S/C23H21NO7/c25-18(22(27)28)13-17(24-21(26)19-10-11-20(31-19)23(29)30)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-11,17-18,25H,12-13H2,(H,24,26)(H,27,28)(H,29,30)/t17?,18-/m1/s1
InChIKeyVWDHMEOJXCQBKQ-QRWMCTBCSA-N
MW423.42 g/mol
LogP2.82
Rot. Bonds9

About 5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid

5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid (PubChem CID 67977223) has the molecular formula C23H21NO7 and a molecular weight of 423.42 g/mol. Its IUPAC name is 5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid
PubChem CID67977223
Molecular FormulaC23H21NO7
Molecular Weight423.42 g/mol
Exact Mass423.13
IUPAC Name5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NC(Cc2ccc(-c3ccccc3)cc2)C[C@@H](O)C(=O)O)o1
InChIInChI=1S/C23H21NO7/c25-18(22(27)28)13-17(24-21(26)19-10-11-20(31-19)23(29)30)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-11,17-18,25H,12-13H2,(H,24,26)(H,27,28)(H,29,30)/t17?,18-/m1/s1
InChIKeyVWDHMEOJXCQBKQ-QRWMCTBCSA-N
XLogP2.82
TPSA137.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]pyridazine-3-carboxylic acid
CID 67977221
4-(5,6-dihydropyrazolo[1,5-d][1,4]benzoxazepine-2-carbonylamino)-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 77441005
(2R,4R)-2-hydroxy-4-[[5-(hydroxymethyl)-1H-pyrazole-3-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
CID 67969965
(2R,4R)-4-[(3-acetyl-1H-pyrazole-5-carbonyl)amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 67969619
2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 67969795
(2R,4R)-5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 67969790
(2R,4R)-4-[[5-(dimethylcarbamoyl)-1H-pyrazole-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 67970051
(2R,4R)-2-hydroxy-4-[[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
CID 67969724
(2R,4R)-5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(2-oxo-3-phenylpropanoyl)amino]pentanoic acid
CID 78324883
5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]thiophene-2-carboxylic acid
CID 59608190
(2R)-4-[[3-(ethoxycarbonylamino)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 67969618
5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 67973809

Frequently Asked Questions

What is the IUPAC name of 5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid (CID 67977223) is 5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid is O=C(O)c1ccc(C(=O)NC(Cc2ccc(-c3ccccc3)cc2)C[C@@H](O)C(=O)O)o1.
What is the InChIKey of 5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid?
The InChIKey is VWDHMEOJXCQBKQ-QRWMCTBCSA-N. The full InChI is InChI=1S/C23H21NO7/c25-18(22(27)28)13-17(24-21(26)19-10-11-20(31-19)23(29)30)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-11,17-18,25H,12-13H2,(H,24,26)(H,27,28)(H,29,30)/t17?,18-/m1/s1.
What are the key properties of 5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid?
5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid has a molecular weight of 423.42 g/mol, XLogP of 2.82, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4R)-4-carboxy-4-hydroxy-1-(4-phenylphenyl)butan-2-yl]carbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 67977223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).