N-(1-formylcyclobutyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide

C10H14N2O4 — CID 142438422

IUPACN-(1-formylcyclobutyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESO=CC1(NC(=O)C2C(=O)NCC2O)CCC1
InChIInChI=1S/C10H14N2O4/c13-5-10(2-1-3-10)12-9(16)7-6(14)4-11-8(7)15/h5-7,14H,1-4H2,(H,11,15)(H,12,16)
InChIKeyPPSAREJNSGEDTL-UHFFFAOYSA-N
MW226.23 g/mol
LogP-1.67
Rot. Bonds3

About N-(1-formylcyclobutyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide

N-(1-formylcyclobutyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide (PubChem CID 142438422) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is N-(1-formylcyclobutyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-formylcyclobutyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
PubChem CID142438422
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC NameN-(1-formylcyclobutyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESO=CC1(NC(=O)C2C(=O)NCC2O)CCC1
InChIInChI=1S/C10H14N2O4/c13-5-10(2-1-3-10)12-9(16)7-6(14)4-11-8(7)15/h5-7,14H,1-4H2,(H,11,15)(H,12,16)
InChIKeyPPSAREJNSGEDTL-UHFFFAOYSA-N
XLogP-1.67
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 142438412
N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438443
N-(1-formylcyclobutyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide;methanol
CID 142439196
N'-cyclopentyl-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448510
N-cycloheptyloxy-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142448490
ethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide
CID 142439240
N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438428
N-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142448486
N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 137474003
N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142439377
N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448524
methyl 1-[(4-hydroxy-2-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 142439218

Frequently Asked Questions

What is the IUPAC name of N-(1-formylcyclobutyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-formylcyclobutyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide (CID 142438422) is N-(1-formylcyclobutyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-formylcyclobutyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-formylcyclobutyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide is O=CC1(NC(=O)C2C(=O)NCC2O)CCC1.
What is the InChIKey of N-(1-formylcyclobutyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The InChIKey is PPSAREJNSGEDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-5-10(2-1-3-10)12-9(16)7-6(14)4-11-8(7)15/h5-7,14H,1-4H2,(H,11,15)(H,12,16).
What are the key properties of N-(1-formylcyclobutyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
N-(1-formylcyclobutyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide has a molecular weight of 226.23 g/mol, XLogP of -1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-formylcyclobutyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 142438422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).