5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxy]pentanoic acid

C20H29NO4 — CID 11855322

IUPAC5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxy]pentanoic acid
SMILESCC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCCCCC(=O)O)cc1
InChIInChI=1S/C20H29NO4/c1-20(2,3)15-7-9-16(10-8-15)21-17(11-12-18(21)22)14-25-13-5-4-6-19(23)24/h7-10,17H,4-6,11-14H2,1-3H3,(H,23,24)/t17-/m1/s1
InChIKeyVSHONWDMNVODGL-QGZVFWFLSA-N
MW347.46 g/mol
LogP3.75
Rot. Bonds8

About 5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxy]pentanoic acid

5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxy]pentanoic acid (PubChem CID 11855322) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is 5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxy]pentanoic acid.

Molecular Properties

Compound Name5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxy]pentanoic acid
PubChem CID11855322
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxy]pentanoic acid
SMILESCC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCCCCC(=O)O)cc1
InChIInChI=1S/C20H29NO4/c1-20(2,3)15-7-9-16(10-8-15)21-17(11-12-18(21)22)14-25-13-5-4-6-19(23)24/h7-10,17H,4-6,11-14H2,1-3H3,(H,23,24)/t17-/m1/s1
InChIKeyVSHONWDMNVODGL-QGZVFWFLSA-N
XLogP3.75
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxy]pentanoic acid?
The IUPAC name of 5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxy]pentanoic acid (CID 11855322) is 5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxy]pentanoic acid.
What is the SMILES notation for 5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxy]pentanoic acid?
The canonical SMILES for 5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxy]pentanoic acid is CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCCCCC(=O)O)cc1.
What is the InChIKey of 5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxy]pentanoic acid?
The InChIKey is VSHONWDMNVODGL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29NO4/c1-20(2,3)15-7-9-16(10-8-15)21-17(11-12-18(21)22)14-25-13-5-4-6-19(23)24/h7-10,17H,4-6,11-14H2,1-3H3,(H,23,24)/t17-/m1/s1.
What are the key properties of 5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxy]pentanoic acid?
5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxy]pentanoic acid has a molecular weight of 347.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxy]pentanoic acid is sourced from PubChem (CID 11855322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).