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

C6H12N2O2 — CID 59097211

IUPAC(2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid
SMILESCN1C[C@H](N)C[C@H]1C(=O)O
InChIInChI=1S/C6H12N2O2/c1-8-3-4(7)2-5(8)6(9)10/h4-5H,2-3,7H2,1H3,(H,9,10)/t4-,5+/m1/s1
InChIKeyQAMNOCJJWVAJCX-UHNVWZDZSA-N
MW144.17 g/mol
LogP-0.90
Rot. Bonds1

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

(2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid (PubChem CID 59097211) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid
PubChem CID59097211
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid
SMILESCN1C[C@H](N)C[C@H]1C(=O)O
InChIInChI=1S/C6H12N2O2/c1-8-3-4(7)2-5(8)6(9)10/h4-5H,2-3,7H2,1H3,(H,9,10)/t4-,5+/m1/s1
InChIKeyQAMNOCJJWVAJCX-UHNVWZDZSA-N
XLogP-0.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid (CID 59097211) is (2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid is CN1C[C@H](N)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid?
The InChIKey is QAMNOCJJWVAJCX-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-8-3-4(7)2-5(8)6(9)10/h4-5H,2-3,7H2,1H3,(H,9,10)/t4-,5+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid?
(2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 59097211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).