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

C8H11FN2O3 — CID 142438416

IUPACN-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESO=C1NCC(O)C1C(=O)NC1(F)CC1
InChIInChI=1S/C8H11FN2O3/c9-8(1-2-8)11-7(14)5-4(12)3-10-6(5)13/h4-5,12H,1-3H2,(H,10,13)(H,11,14)
InChIKeyPTNRHNNTPWERGD-UHFFFAOYSA-N
MW202.18 g/mol
LogP-1.33
Rot. Bonds2

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

N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide (PubChem CID 142438416) has the molecular formula C8H11FN2O3 and a molecular weight of 202.18 g/mol. Its IUPAC name is N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
PubChem CID142438416
Molecular FormulaC8H11FN2O3
Molecular Weight202.18 g/mol
Exact Mass202.08
IUPAC NameN-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESO=C1NCC(O)C1C(=O)NC1(F)CC1
InChIInChI=1S/C8H11FN2O3/c9-8(1-2-8)11-7(14)5-4(12)3-10-6(5)13/h4-5,12H,1-3H2,(H,10,13)(H,11,14)
InChIKeyPTNRHNNTPWERGD-UHFFFAOYSA-N
XLogP-1.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide 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

4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide
CID 142438408
ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane
CID 142438437
4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide
CID 142438446
N-(2,2-difluoroethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438461
4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 142438491
1-cyclopropyl-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
CID 103726415
N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
CID 103809695
N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
CID 103810632
(3R)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
CID 120467442
(3S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
CID 120467444
4,4,4-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]butanamide
CID 120943840
4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide
CID 142438438

Frequently Asked Questions

What is the IUPAC name of N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide (CID 142438416) is N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide is O=C1NCC(O)C1C(=O)NC1(F)CC1.
What is the InChIKey of N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The InChIKey is PTNRHNNTPWERGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3/c9-8(1-2-8)11-7(14)5-4(12)3-10-6(5)13/h4-5,12H,1-3H2,(H,10,13)(H,11,14).
What are the key properties of N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide has a molecular weight of 202.18 g/mol, XLogP of -1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 142438416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).