4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid

C22H25NO5 — CID 144974031

IUPAC4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid
SMILESCOc1cc(O)cc(CC2CCCC2C(=O)NCc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C22H25NO5/c1-28-19-11-15(10-18(24)12-19)9-17-3-2-4-20(17)21(25)23-13-14-5-7-16(8-6-14)22(26)27/h5-8,10-12,17,20,24H,2-4,9,13H2,1H3,(H,23,25)(H,26,27)
InChIKeyWOUDNZBEEODGGN-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.37
Rot. Bonds7

About 4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid

4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid (PubChem CID 144974031) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid
PubChem CID144974031
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid
SMILESCOc1cc(O)cc(CC2CCCC2C(=O)NCc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C22H25NO5/c1-28-19-11-15(10-18(24)12-19)9-17-3-2-4-20(17)21(25)23-13-14-5-7-16(8-6-14)22(26)27/h5-8,10-12,17,20,24H,2-4,9,13H2,1H3,(H,23,25)(H,26,27)
InChIKeyWOUDNZBEEODGGN-UHFFFAOYSA-N
XLogP3.37
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid with MolForge

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Related Compounds

4-[[[2-[(3,5-dimethoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid
CID 118562102
methyl 4-[[[2-[(3,5-dihydroxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate
CID 144974027
methyl 4-[[[2-[(4-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate
CID 118562041
methyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate
CID 118562064
methyl 4-[[(2-benzylcyclohexanecarbonyl)amino]methyl]benzoate
CID 118562025
cis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid
CID 125472183
2-benzyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 161394271
4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid
CID 138054713
4-[2-[3-[2-(4-carboxyphenyl)ethyl]-5-methoxyphenyl]ethyl]benzoic acid
CID 171715372
trans-(1R,2R)-1-N-[(3-methoxyphenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142837082
4-[[[2-[(3,5-dimethoxyphenyl)methyl]cyclopentene-1-carbonyl]amino]methyl]benzoic acid
CID 118562079
4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid
CID 119165465

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid (CID 144974031) is 4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid is COc1cc(O)cc(CC2CCCC2C(=O)NCc2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid?
The InChIKey is WOUDNZBEEODGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-28-19-11-15(10-18(24)12-19)9-17-3-2-4-20(17)21(25)23-13-14-5-7-16(8-6-14)22(26)27/h5-8,10-12,17,20,24H,2-4,9,13H2,1H3,(H,23,25)(H,26,27).
What are the key properties of 4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid?
4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid has a molecular weight of 383.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 144974031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).