(4S)-4-[2-(methoxymethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C10H18N2O5 — CID 69107668

IUPAC(4S)-4-[2-(methoxymethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCOCNC(=O)C[C@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C10H18N2O5/c1-10(2)12(9(14)15)7(5-17-10)4-8(13)11-6-16-3/h7H,4-6H2,1-3H3,(H,11,13)(H,14,15)/t7-/m0/s1
InChIKeyPAVYWQIJXFRFTG-ZETCQYMHSA-N
MW246.26 g/mol
LogP0.21
Rot. Bonds4

About (4S)-4-[2-(methoxymethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

(4S)-4-[2-(methoxymethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 69107668) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (4S)-4-[2-(methoxymethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-[2-(methoxymethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID69107668
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(4S)-4-[2-(methoxymethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCOCNC(=O)C[C@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C10H18N2O5/c1-10(2)12(9(14)15)7(5-17-10)4-8(13)11-6-16-3/h7H,4-6H2,1-3H3,(H,11,13)(H,14,15)/t7-/m0/s1
InChIKeyPAVYWQIJXFRFTG-ZETCQYMHSA-N
XLogP0.21
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S)-4-[2-(methoxymethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(methoxymethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4S)-4-[2-(methoxymethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 69107668) is (4S)-4-[2-(methoxymethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4S)-4-[2-(methoxymethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4S)-4-[2-(methoxymethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is COCNC(=O)C[C@H]1COC(C)(C)N1C(=O)O.
What is the InChIKey of (4S)-4-[2-(methoxymethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is PAVYWQIJXFRFTG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-10(2)12(9(14)15)7(5-17-10)4-8(13)11-6-16-3/h7H,4-6H2,1-3H3,(H,11,13)(H,14,15)/t7-/m0/s1.
What are the key properties of (4S)-4-[2-(methoxymethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
(4S)-4-[2-(methoxymethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 246.26 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(methoxymethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 69107668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).