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

C9H14N2O4 — CID 142438404

IUPAC4-hydroxy-N-(1-methoxycyclopropyl)-2-oxopyrrolidine-3-carboxamide
SMILESCOC1(NC(=O)C2C(=O)NCC2O)CC1
InChIInChI=1S/C9H14N2O4/c1-15-9(2-3-9)11-8(14)6-5(12)4-10-7(6)13/h5-6,12H,2-4H2,1H3,(H,10,13)(H,11,14)
InChIKeyJPOIHANPLUIXGU-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.65
Rot. Bonds3

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

4-hydroxy-N-(1-methoxycyclopropyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 142438404) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-hydroxy-N-(1-methoxycyclopropyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(1-methoxycyclopropyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID142438404
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name4-hydroxy-N-(1-methoxycyclopropyl)-2-oxopyrrolidine-3-carboxamide
SMILESCOC1(NC(=O)C2C(=O)NCC2O)CC1
InChIInChI=1S/C9H14N2O4/c1-15-9(2-3-9)11-8(14)6-5(12)4-10-7(6)13/h5-6,12H,2-4H2,1H3,(H,10,13)(H,11,14)
InChIKeyJPOIHANPLUIXGU-UHFFFAOYSA-N
XLogP-1.65
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1-methoxycyclopropyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(1-methoxycyclopropyl)-2-oxopyrrolidine-3-carboxamide (CID 142438404) is 4-hydroxy-N-(1-methoxycyclopropyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(1-methoxycyclopropyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(1-methoxycyclopropyl)-2-oxopyrrolidine-3-carboxamide is COC1(NC(=O)C2C(=O)NCC2O)CC1.
What is the InChIKey of 4-hydroxy-N-(1-methoxycyclopropyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is JPOIHANPLUIXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-15-9(2-3-9)11-8(14)6-5(12)4-10-7(6)13/h5-6,12H,2-4H2,1H3,(H,10,13)(H,11,14).
What are the key properties of 4-hydroxy-N-(1-methoxycyclopropyl)-2-oxopyrrolidine-3-carboxamide?
4-hydroxy-N-(1-methoxycyclopropyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 214.22 g/mol, XLogP of -1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1-methoxycyclopropyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 142438404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).