2-[[4-[(2-hydroxy-5-methylbenzoyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzoic acid

C20H20N2O5 — CID 166031153

IUPAC2-[[4-[(2-hydroxy-5-methylbenzoyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzoic acid
SMILESCc1ccc(O)c(C(=O)NC2CC(=O)N(Cc3ccccc3C(=O)O)C2)c1
InChIInChI=1S/C20H20N2O5/c1-12-6-7-17(23)16(8-12)19(25)21-14-9-18(24)22(11-14)10-13-4-2-3-5-15(13)20(26)27/h2-8,14,23H,9-11H2,1H3,(H,21,25)(H,26,27)
InChIKeyHSBYKLOIAFGKSU-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.93
Rot. Bonds5

About 2-[[4-[(2-hydroxy-5-methylbenzoyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzoic acid

2-[[4-[(2-hydroxy-5-methylbenzoyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzoic acid (PubChem CID 166031153) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[[4-[(2-hydroxy-5-methylbenzoyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-[(2-hydroxy-5-methylbenzoyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzoic acid
PubChem CID166031153
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[[4-[(2-hydroxy-5-methylbenzoyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzoic acid
SMILESCc1ccc(O)c(C(=O)NC2CC(=O)N(Cc3ccccc3C(=O)O)C2)c1
InChIInChI=1S/C20H20N2O5/c1-12-6-7-17(23)16(8-12)19(25)21-14-9-18(24)22(11-14)10-13-4-2-3-5-15(13)20(26)27/h2-8,14,23H,9-11H2,1H3,(H,21,25)(H,26,27)
InChIKeyHSBYKLOIAFGKSU-UHFFFAOYSA-N
XLogP1.93
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(2-hydroxy-5-methylbenzoyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzoic acid with MolForge

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Related Compounds

2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
CID 56900894
3-hydroxy-2-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]benzamide
CID 95724518
2-hydroxy-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
CID 166031134
N-(2,3-dihydro-1H-inden-2-yl)-2-hydroxy-5-methylbenzamide
CID 104693636
N-(1-benzylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 75874280
2-[(4-ethyl-2-oxopyrrolidin-1-yl)methyl]benzoic acid
CID 10106013
4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95711538
4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 56902155
N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 95721627
2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 167537285
2-methyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 42147175
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide
CID 95720923

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-hydroxy-5-methylbenzoyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzoic acid?
The IUPAC name of 2-[[4-[(2-hydroxy-5-methylbenzoyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzoic acid (CID 166031153) is 2-[[4-[(2-hydroxy-5-methylbenzoyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzoic acid.
What is the SMILES notation for 2-[[4-[(2-hydroxy-5-methylbenzoyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzoic acid?
The canonical SMILES for 2-[[4-[(2-hydroxy-5-methylbenzoyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzoic acid is Cc1ccc(O)c(C(=O)NC2CC(=O)N(Cc3ccccc3C(=O)O)C2)c1.
What is the InChIKey of 2-[[4-[(2-hydroxy-5-methylbenzoyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzoic acid?
The InChIKey is HSBYKLOIAFGKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-12-6-7-17(23)16(8-12)19(25)21-14-9-18(24)22(11-14)10-13-4-2-3-5-15(13)20(26)27/h2-8,14,23H,9-11H2,1H3,(H,21,25)(H,26,27).
What are the key properties of 2-[[4-[(2-hydroxy-5-methylbenzoyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzoic acid?
2-[[4-[(2-hydroxy-5-methylbenzoyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzoic acid has a molecular weight of 368.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-hydroxy-5-methylbenzoyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzoic acid is sourced from PubChem (CID 166031153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).