2-[3-[2-[(1R)-1-[[(5R)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]ethyl]phenyl]propoxy]acetic acid

C30H39NO6 — CID 69322919

IUPAC2-[3-[2-[(1R)-1-[[(5R)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]ethyl]phenyl]propoxy]acetic acid
SMILESC[C@@H](OC[C@H]1CN(C(C)(C)CC2Cc3ccccc3C2)C(=O)O1)c1ccccc1CCCOCC(=O)O
InChIInChI=1S/C30H39NO6/c1-21(27-13-7-6-9-23(27)12-8-14-35-20-28(32)33)36-19-26-18-31(29(34)37-26)30(2,3)17-22-15-24-10-4-5-11-25(24)16-22/h4-7,9-11,13,21-22,26H,8,12,14-20H2,1-3H3,(H,32,33)/t21-,26-/m1/s1
InChIKeyOQXZNDOJBONACF-QFQXNSOFSA-N
MW509.64 g/mol
LogP5.20
Rot. Bonds13

About 2-[3-[2-[(1R)-1-[[(5R)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]ethyl]phenyl]propoxy]acetic acid

2-[3-[2-[(1R)-1-[[(5R)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]ethyl]phenyl]propoxy]acetic acid (PubChem CID 69322919) has the molecular formula C30H39NO6 and a molecular weight of 509.64 g/mol. Its IUPAC name is 2-[3-[2-[(1R)-1-[[(5R)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]ethyl]phenyl]propoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[(1R)-1-[[(5R)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]ethyl]phenyl]propoxy]acetic acid
PubChem CID69322919
Molecular FormulaC30H39NO6
Molecular Weight509.64 g/mol
Exact Mass509.28
IUPAC Name2-[3-[2-[(1R)-1-[[(5R)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]ethyl]phenyl]propoxy]acetic acid
SMILESC[C@@H](OC[C@H]1CN(C(C)(C)CC2Cc3ccccc3C2)C(=O)O1)c1ccccc1CCCOCC(=O)O
InChIInChI=1S/C30H39NO6/c1-21(27-13-7-6-9-23(27)12-8-14-35-20-28(32)33)36-19-26-18-31(29(34)37-26)30(2,3)17-22-15-24-10-4-5-11-25(24)16-22/h4-7,9-11,13,21-22,26H,8,12,14-20H2,1-3H3,(H,32,33)/t21-,26-/m1/s1
InChIKeyOQXZNDOJBONACF-QFQXNSOFSA-N
XLogP5.20
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.64
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(1R)-1-[[(5R)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]ethyl]phenyl]propoxy]acetic acid?
The IUPAC name of 2-[3-[2-[(1R)-1-[[(5R)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]ethyl]phenyl]propoxy]acetic acid (CID 69322919) is 2-[3-[2-[(1R)-1-[[(5R)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]ethyl]phenyl]propoxy]acetic acid.
What is the SMILES notation for 2-[3-[2-[(1R)-1-[[(5R)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]ethyl]phenyl]propoxy]acetic acid?
The canonical SMILES for 2-[3-[2-[(1R)-1-[[(5R)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]ethyl]phenyl]propoxy]acetic acid is C[C@@H](OC[C@H]1CN(C(C)(C)CC2Cc3ccccc3C2)C(=O)O1)c1ccccc1CCCOCC(=O)O.
What is the InChIKey of 2-[3-[2-[(1R)-1-[[(5R)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]ethyl]phenyl]propoxy]acetic acid?
The InChIKey is OQXZNDOJBONACF-QFQXNSOFSA-N. The full InChI is InChI=1S/C30H39NO6/c1-21(27-13-7-6-9-23(27)12-8-14-35-20-28(32)33)36-19-26-18-31(29(34)37-26)30(2,3)17-22-15-24-10-4-5-11-25(24)16-22/h4-7,9-11,13,21-22,26H,8,12,14-20H2,1-3H3,(H,32,33)/t21-,26-/m1/s1.
What are the key properties of 2-[3-[2-[(1R)-1-[[(5R)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]ethyl]phenyl]propoxy]acetic acid?
2-[3-[2-[(1R)-1-[[(5R)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]ethyl]phenyl]propoxy]acetic acid has a molecular weight of 509.64 g/mol, XLogP of 5.20, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(1R)-1-[[(5R)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]ethyl]phenyl]propoxy]acetic acid is sourced from PubChem (CID 69322919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).