(2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylic acid

C8H16N2O3 — CID 66670603

IUPAC(2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylic acid
SMILESCCOC[C@@H]1C[C@@H](N)CN1C(=O)O
InChIInChI=1S/C8H16N2O3/c1-2-13-5-7-3-6(9)4-10(7)8(11)12/h6-7H,2-5,9H2,1H3,(H,11,12)/t6-,7+/m1/s1
InChIKeyWFHLHEGESVJEAL-RQJHMYQMSA-N
MW188.23 g/mol
LogP0.10
Rot. Bonds3

About (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylic acid

(2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 66670603) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID66670603
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylic acid
SMILESCCOC[C@@H]1C[C@@H](N)CN1C(=O)O
InChIInChI=1S/C8H16N2O3/c1-2-13-5-7-3-6(9)4-10(7)8(11)12/h6-7H,2-5,9H2,1H3,(H,11,12)/t6-,7+/m1/s1
InChIKeyWFHLHEGESVJEAL-RQJHMYQMSA-N
XLogP0.10
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-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 (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylic acid (CID 66670603) is (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylic acid is CCOC[C@@H]1C[C@@H](N)CN1C(=O)O.
What is the InChIKey of (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is WFHLHEGESVJEAL-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-2-13-5-7-3-6(9)4-10(7)8(11)12/h6-7H,2-5,9H2,1H3,(H,11,12)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylic acid?
(2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 188.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 66670603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).