(3S,4S)-4-(methoxymethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxylic acid

C11H15N3O3 — CID 110203474

IUPAC(3S,4S)-4-(methoxymethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxylic acid
SMILESCOC[C@@H]1CN(c2ncccn2)C[C@H]1C(=O)O
InChIInChI=1S/C11H15N3O3/c1-17-7-8-5-14(6-9(8)10(15)16)11-12-3-2-4-13-11/h2-4,8-9H,5-7H2,1H3,(H,15,16)/t8-,9+/m0/s1
InChIKeyFVZYQSVYGGPRGG-DTWKUNHWSA-N
MW237.26 g/mol
LogP0.26
Rot. Bonds4

About (3S,4S)-4-(methoxymethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxylic acid

(3S,4S)-4-(methoxymethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 110203474) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (3S,4S)-4-(methoxymethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-(methoxymethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxylic acid
PubChem CID110203474
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(3S,4S)-4-(methoxymethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxylic acid
SMILESCOC[C@@H]1CN(c2ncccn2)C[C@H]1C(=O)O
InChIInChI=1S/C11H15N3O3/c1-17-7-8-5-14(6-9(8)10(15)16)11-12-3-2-4-13-11/h2-4,8-9H,5-7H2,1H3,(H,15,16)/t8-,9+/m0/s1
InChIKeyFVZYQSVYGGPRGG-DTWKUNHWSA-N
XLogP0.26
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-4-(methoxymethyl)-1-pyrimidin-2-ylpyrrolidine-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 (3S,4S)-4-(methoxymethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-(methoxymethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxylic acid (CID 110203474) is (3S,4S)-4-(methoxymethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-(methoxymethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-(methoxymethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxylic acid is COC[C@@H]1CN(c2ncccn2)C[C@H]1C(=O)O.
What is the InChIKey of (3S,4S)-4-(methoxymethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is FVZYQSVYGGPRGG-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-7-8-5-14(6-9(8)10(15)16)11-12-3-2-4-13-11/h2-4,8-9H,5-7H2,1H3,(H,15,16)/t8-,9+/m0/s1.
What are the key properties of (3S,4S)-4-(methoxymethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxylic acid?
(3S,4S)-4-(methoxymethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(methoxymethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 110203474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).