(2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide

C12H20N2O4 — CID 105359461

IUPAC(2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C12H20N2O4/c1-14(8-12(17)4-6-18-7-5-12)11(16)9-2-3-10(15)13-9/h9,17H,2-8H2,1H3,(H,13,15)/t9-/m0/s1
InChIKeyBNHMWPYQMYNWKJ-VIFPVBQESA-N
MW256.30 g/mol
LogP-0.74
Rot. Bonds3

About (2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 105359461) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID105359461
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C12H20N2O4/c1-14(8-12(17)4-6-18-7-5-12)11(16)9-2-3-10(15)13-9/h9,17H,2-8H2,1H3,(H,13,15)/t9-/m0/s1
InChIKeyBNHMWPYQMYNWKJ-VIFPVBQESA-N
XLogP-0.74
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-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

(2R)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 103840269
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 114949080
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 114949202
N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide
CID 105338653
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106704148
N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide
CID 114949616
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 114951434
(2R)-N-(3-aminopropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 103807278
3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrrolidine-2,5-dione
CID 114952741
2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114949096
3-amino-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114951120
1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 114951241

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide (CID 105359461) is (2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide is CN(CC1(O)CCOCC1)C(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is BNHMWPYQMYNWKJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N2O4/c1-14(8-12(17)4-6-18-7-5-12)11(16)9-2-3-10(15)13-9/h9,17H,2-8H2,1H3,(H,13,15)/t9-/m0/s1.
What are the key properties of (2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 256.30 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 105359461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).