5-[[4-(6-hydroxyhexyl)phenyl]-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]methyl]furan-2-carboxylic acid

C23H29NO6 — CID 69469293

IUPAC5-[[4-(6-hydroxyhexyl)phenyl]-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]methyl]furan-2-carboxylic acid
SMILESO=C1CC[C@H](COC(c2ccc(CCCCCCO)cc2)c2ccc(C(=O)O)o2)N1
InChIInChI=1S/C23H29NO6/c25-14-4-2-1-3-5-16-6-8-17(9-7-16)22(19-11-12-20(30-19)23(27)28)29-15-18-10-13-21(26)24-18/h6-9,11-12,18,22,25H,1-5,10,13-15H2,(H,24,26)(H,27,28)/t18-,22?/m1/s1
InChIKeyLBKPTYRLFXNQLH-ZZWBGTBQSA-N
MW415.49 g/mol
LogP3.46
Rot. Bonds12

About 5-[[4-(6-hydroxyhexyl)phenyl]-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]methyl]furan-2-carboxylic acid

5-[[4-(6-hydroxyhexyl)phenyl]-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]methyl]furan-2-carboxylic acid (PubChem CID 69469293) has the molecular formula C23H29NO6 and a molecular weight of 415.49 g/mol. Its IUPAC name is 5-[[4-(6-hydroxyhexyl)phenyl]-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(6-hydroxyhexyl)phenyl]-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]methyl]furan-2-carboxylic acid
PubChem CID69469293
Molecular FormulaC23H29NO6
Molecular Weight415.49 g/mol
Exact Mass415.20
IUPAC Name5-[[4-(6-hydroxyhexyl)phenyl]-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]methyl]furan-2-carboxylic acid
SMILESO=C1CC[C@H](COC(c2ccc(CCCCCCO)cc2)c2ccc(C(=O)O)o2)N1
InChIInChI=1S/C23H29NO6/c25-14-4-2-1-3-5-16-6-8-17(9-7-16)22(19-11-12-20(30-19)23(27)28)29-15-18-10-13-21(26)24-18/h6-9,11-12,18,22,25H,1-5,10,13-15H2,(H,24,26)(H,27,28)/t18-,22?/m1/s1
InChIKeyLBKPTYRLFXNQLH-ZZWBGTBQSA-N
XLogP3.46
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[[4-(6-hydroxyhexyl)phenyl]-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]methyl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-(4-hydroxybutyl)phenyl]-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]methyl]thiophene-2-carboxylic acid
CID 69469702
5-[[4-(4-hydroxybutyl)phenyl]-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]methyl]thiophene-2-carboxylic acid
CID 69131066
5-[[4-(1-hydroxyheptyl)phenyl]-[(5-oxopyrrolidin-2-yl)methoxy]methyl]thiophene-2-carboxylic acid
CID 77246132
5-[(R)-[4-(1-hydroxyhexyl)phenyl]-[(6-oxopiperidin-2-yl)methoxy]methyl]thiophene-2-carboxylic acid
CID 68580281
5-[methoxy(phenyl)methyl]furan-2-carboxylic acid
CID 13153963
5-[[(R)-(4-tert-butylphenyl)-thiophen-2-ylmethoxy]methyl]pyrrolidin-2-one
CID 141151099
methyl (2R)-2-[4-(4-hydroxybutyl)phenyl]propanoate
CID 129363390
4-phenylbutyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 57351422
5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one
CID 107530711
5-[1-(3-methoxypyrrolidin-1-yl)ethyl]furan-2-carboxylic acid
CID 103535178
4-[9-(4-carboxyphenyl)nonyl]benzoic acid
CID 90051531
5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 103254265

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(6-hydroxyhexyl)phenyl]-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[4-(6-hydroxyhexyl)phenyl]-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]methyl]furan-2-carboxylic acid (CID 69469293) is 5-[[4-(6-hydroxyhexyl)phenyl]-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(6-hydroxyhexyl)phenyl]-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[4-(6-hydroxyhexyl)phenyl]-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]methyl]furan-2-carboxylic acid is O=C1CC[C@H](COC(c2ccc(CCCCCCO)cc2)c2ccc(C(=O)O)o2)N1.
What is the InChIKey of 5-[[4-(6-hydroxyhexyl)phenyl]-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]methyl]furan-2-carboxylic acid?
The InChIKey is LBKPTYRLFXNQLH-ZZWBGTBQSA-N. The full InChI is InChI=1S/C23H29NO6/c25-14-4-2-1-3-5-16-6-8-17(9-7-16)22(19-11-12-20(30-19)23(27)28)29-15-18-10-13-21(26)24-18/h6-9,11-12,18,22,25H,1-5,10,13-15H2,(H,24,26)(H,27,28)/t18-,22?/m1/s1.
What are the key properties of 5-[[4-(6-hydroxyhexyl)phenyl]-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]methyl]furan-2-carboxylic acid?
5-[[4-(6-hydroxyhexyl)phenyl]-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]methyl]furan-2-carboxylic acid has a molecular weight of 415.49 g/mol, XLogP of 3.46, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(6-hydroxyhexyl)phenyl]-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 69469293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).