(3R,5S)-5-(methylamino)pyrrolidine-1,3-dicarboxylic acid

C7H12N2O4 — CID 118495986

IUPAC(3R,5S)-5-(methylamino)pyrrolidine-1,3-dicarboxylic acid
SMILESCN[C@@H]1C[C@@H](C(=O)O)CN1C(=O)O
InChIInChI=1S/C7H12N2O4/c1-8-5-2-4(6(10)11)3-9(5)7(12)13/h4-5,8H,2-3H2,1H3,(H,10,11)(H,12,13)/t4-,5+/m1/s1
InChIKeyWHUOMJJELYIWOD-UHNVWZDZSA-N
MW188.18 g/mol
LogP-0.38
Rot. Bonds2

About (3R,5S)-5-(methylamino)pyrrolidine-1,3-dicarboxylic acid

(3R,5S)-5-(methylamino)pyrrolidine-1,3-dicarboxylic acid (PubChem CID 118495986) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is (3R,5S)-5-(methylamino)pyrrolidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name(3R,5S)-5-(methylamino)pyrrolidine-1,3-dicarboxylic acid
PubChem CID118495986
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(3R,5S)-5-(methylamino)pyrrolidine-1,3-dicarboxylic acid
SMILESCN[C@@H]1C[C@@H](C(=O)O)CN1C(=O)O
InChIInChI=1S/C7H12N2O4/c1-8-5-2-4(6(10)11)3-9(5)7(12)13/h4-5,8H,2-3H2,1H3,(H,10,11)(H,12,13)/t4-,5+/m1/s1
InChIKeyWHUOMJJELYIWOD-UHNVWZDZSA-N
XLogP-0.38
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R,5S)-5-(methylamino)pyrrolidine-1,3-dicarboxylic 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 (3R,5S)-5-(methylamino)pyrrolidine-1,3-dicarboxylic acid?
The IUPAC name of (3R,5S)-5-(methylamino)pyrrolidine-1,3-dicarboxylic acid (CID 118495986) is (3R,5S)-5-(methylamino)pyrrolidine-1,3-dicarboxylic acid.
What is the SMILES notation for (3R,5S)-5-(methylamino)pyrrolidine-1,3-dicarboxylic acid?
The canonical SMILES for (3R,5S)-5-(methylamino)pyrrolidine-1,3-dicarboxylic acid is CN[C@@H]1C[C@@H](C(=O)O)CN1C(=O)O.
What is the InChIKey of (3R,5S)-5-(methylamino)pyrrolidine-1,3-dicarboxylic acid?
The InChIKey is WHUOMJJELYIWOD-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-8-5-2-4(6(10)11)3-9(5)7(12)13/h4-5,8H,2-3H2,1H3,(H,10,11)(H,12,13)/t4-,5+/m1/s1.
What are the key properties of (3R,5S)-5-(methylamino)pyrrolidine-1,3-dicarboxylic acid?
(3R,5S)-5-(methylamino)pyrrolidine-1,3-dicarboxylic acid has a molecular weight of 188.18 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(methylamino)pyrrolidine-1,3-dicarboxylic acid is sourced from PubChem (CID 118495986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).