(2S,3R)-3-(morpholin-4-ylmethyl)pyrrolidine-2-carboxylic acid

C10H18N2O3 — CID 66864692

IUPAC(2S,3R)-3-(morpholin-4-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C10H18N2O3/c13-10(14)9-8(1-2-11-9)7-12-3-5-15-6-4-12/h8-9,11H,1-7H2,(H,13,14)/t8-,9+/m1/s1
InChIKeyCJWGCEZFORBLNI-BDAKNGLRSA-N
MW214.26 g/mol
LogP-0.62
Rot. Bonds3

About (2S,3R)-3-(morpholin-4-ylmethyl)pyrrolidine-2-carboxylic acid

(2S,3R)-3-(morpholin-4-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 66864692) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2S,3R)-3-(morpholin-4-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-(morpholin-4-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID66864692
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(2S,3R)-3-(morpholin-4-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C10H18N2O3/c13-10(14)9-8(1-2-11-9)7-12-3-5-15-6-4-12/h8-9,11H,1-7H2,(H,13,14)/t8-,9+/m1/s1
InChIKeyCJWGCEZFORBLNI-BDAKNGLRSA-N
XLogP-0.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-3-(morpholin-4-ylmethyl)pyrrolidine-2-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,3R)-3-(morpholin-4-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-(morpholin-4-ylmethyl)pyrrolidine-2-carboxylic acid (CID 66864692) is (2S,3R)-3-(morpholin-4-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-(morpholin-4-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-(morpholin-4-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1NCC[C@@H]1CN1CCOCC1.
What is the InChIKey of (2S,3R)-3-(morpholin-4-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CJWGCEZFORBLNI-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18N2O3/c13-10(14)9-8(1-2-11-9)7-12-3-5-15-6-4-12/h8-9,11H,1-7H2,(H,13,14)/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-3-(morpholin-4-ylmethyl)pyrrolidine-2-carboxylic acid?
(2S,3R)-3-(morpholin-4-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(morpholin-4-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66864692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).