4-[(3R)-3-[2-(4-hydroxybenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate

C18H14N3O6- — CID 2447455

IUPAC4-[(3R)-3-[2-(4-hydroxybenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate
SMILESO=C([O-])c1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(O)cc3)C2=O)cc1
InChIInChI=1S/C18H15N3O6/c22-13-7-3-10(4-8-13)16(24)20-19-14-9-15(23)21(17(14)25)12-5-1-11(2-6-12)18(26)27/h1-8,14,19,22H,9H2,(H,20,24)(H,26,27)/p-1/t14-/m1/s1
InChIKeyCDOVXEIMYJUVRI-CQSZACIVSA-M
MW368.33 g/mol
LogP-0.68
Rot. Bonds5

About 4-[(3R)-3-[2-(4-hydroxybenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate

4-[(3R)-3-[2-(4-hydroxybenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate (PubChem CID 2447455) has the molecular formula C18H14N3O6- and a molecular weight of 368.33 g/mol. Its IUPAC name is 4-[(3R)-3-[2-(4-hydroxybenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate.

Molecular Properties

Compound Name4-[(3R)-3-[2-(4-hydroxybenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate
PubChem CID2447455
Molecular FormulaC18H14N3O6-
Molecular Weight368.33 g/mol
Exact Mass368.09
IUPAC Name4-[(3R)-3-[2-(4-hydroxybenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate
SMILESO=C([O-])c1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(O)cc3)C2=O)cc1
InChIInChI=1S/C18H15N3O6/c22-13-7-3-10(4-8-13)16(24)20-19-14-9-15(23)21(17(14)25)12-5-1-11(2-6-12)18(26)27/h1-8,14,19,22H,9H2,(H,20,24)(H,26,27)/p-1/t14-/m1/s1
InChIKeyCDOVXEIMYJUVRI-CQSZACIVSA-M
XLogP-0.68
TPSA138.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 686395
N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 4897530
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119938
N'-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 92693941
3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 7641357
3,4-dimethoxy-N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 4896092
4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 7829632
N'-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide
CID 7643515
N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide
CID 4973642
2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 1213098
3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide
CID 3780901
N'-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 3768777

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[2-(4-hydroxybenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate?
The IUPAC name of 4-[(3R)-3-[2-(4-hydroxybenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate (CID 2447455) is 4-[(3R)-3-[2-(4-hydroxybenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate.
What is the SMILES notation for 4-[(3R)-3-[2-(4-hydroxybenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate?
The canonical SMILES for 4-[(3R)-3-[2-(4-hydroxybenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate is O=C([O-])c1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(O)cc3)C2=O)cc1.
What is the InChIKey of 4-[(3R)-3-[2-(4-hydroxybenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate?
The InChIKey is CDOVXEIMYJUVRI-CQSZACIVSA-M. The full InChI is InChI=1S/C18H15N3O6/c22-13-7-3-10(4-8-13)16(24)20-19-14-9-15(23)21(17(14)25)12-5-1-11(2-6-12)18(26)27/h1-8,14,19,22H,9H2,(H,20,24)(H,26,27)/p-1/t14-/m1/s1.
What are the key properties of 4-[(3R)-3-[2-(4-hydroxybenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate?
4-[(3R)-3-[2-(4-hydroxybenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate has a molecular weight of 368.33 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[2-(4-hydroxybenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate is sourced from PubChem (CID 2447455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).