2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid

C28H27NO7 — CID 58120058

IUPAC2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
SMILESCc1ccc(-c2cc(CC(=O)O)ccc2OCC(=O)O)c(CN2C(=O)O[C@H](c3ccccc3)[C@@H]2C)c1
InChIInChI=1S/C28H27NO7/c1-17-8-10-22(23-13-19(14-25(30)31)9-11-24(23)35-16-26(32)33)21(12-17)15-29-18(2)27(36-28(29)34)20-6-4-3-5-7-20/h3-13,18,27H,14-16H2,1-2H3,(H,30,31)(H,32,33)/t18-,27-/m0/s1
InChIKeyDXSOEADMQYMNPP-MYUZEXMDSA-N
MW489.52 g/mol
LogP4.83
Rot. Bonds9

About 2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid

2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid (PubChem CID 58120058) has the molecular formula C28H27NO7 and a molecular weight of 489.52 g/mol. Its IUPAC name is 2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
PubChem CID58120058
Molecular FormulaC28H27NO7
Molecular Weight489.52 g/mol
Exact Mass489.18
IUPAC Name2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
SMILESCc1ccc(-c2cc(CC(=O)O)ccc2OCC(=O)O)c(CN2C(=O)O[C@H](c3ccccc3)[C@@H]2C)c1
InChIInChI=1S/C28H27NO7/c1-17-8-10-22(23-13-19(14-25(30)31)9-11-24(23)35-16-26(32)33)21(12-17)15-29-18(2)27(36-28(29)34)20-6-4-3-5-7-20/h3-13,18,27H,14-16H2,1-2H3,(H,30,31)(H,32,33)/t18-,27-/m0/s1
InChIKeyDXSOEADMQYMNPP-MYUZEXMDSA-N
XLogP4.83
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.52
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
CID 58120055
benzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate
CID 58120048
cyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate
CID 58120035
2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid
CID 66892251
ethyl 2-[4-ethoxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
CID 66892229
2-[2,4-dimethoxy-5-[2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
CID 143857672
2-[3-[2-[[(4S,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenoxy]-4-phenylmethoxyphenyl]acetic acid
CID 67105404
(4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-methoxyphenyl]-5-methylphenyl]methyl]-4-methyl-5-pyridin-4-yl-1,3-oxazolidin-2-one
CID 58355908
4-[3-[2-[[(4S,5R)-5-(3-fluorophenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-methylphenyl]-4-methoxyphenyl]-3-methylbenzoic acid
CID 58355971
3-chloro-4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]benzoic acid
CID 58355999
CID 89164293
CID 89164293
4-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-pyridin-1-ium-4-yl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]-3-methylbenzoic acid;2,2,2-trifluoroacetate
CID 123615873

Frequently Asked Questions

What is the IUPAC name of 2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid (CID 58120058) is 2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid is Cc1ccc(-c2cc(CC(=O)O)ccc2OCC(=O)O)c(CN2C(=O)O[C@H](c3ccccc3)[C@@H]2C)c1.
What is the InChIKey of 2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid?
The InChIKey is DXSOEADMQYMNPP-MYUZEXMDSA-N. The full InChI is InChI=1S/C28H27NO7/c1-17-8-10-22(23-13-19(14-25(30)31)9-11-24(23)35-16-26(32)33)21(12-17)15-29-18(2)27(36-28(29)34)20-6-4-3-5-7-20/h3-13,18,27H,14-16H2,1-2H3,(H,30,31)(H,32,33)/t18-,27-/m0/s1.
What are the key properties of 2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid?
2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid has a molecular weight of 489.52 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid is sourced from PubChem (CID 58120058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).