(2R,4R)-4-acetyl-2-aminopyrrolidine-1,2-dicarboxylic acid

C8H12N2O5 — CID 154057545

IUPAC(2R,4R)-4-acetyl-2-aminopyrrolidine-1,2-dicarboxylic acid
SMILESCC(=O)[C@H]1CN(C(=O)O)[C@@](N)(C(=O)O)C1
InChIInChI=1S/C8H12N2O5/c1-4(11)5-2-8(9,6(12)13)10(3-5)7(14)15/h5H,2-3,9H2,1H3,(H,12,13)(H,14,15)/t5-,8-/m1/s1
InChIKeySUGMNMIJUOSOBR-SVGQVSJJSA-N
MW216.19 g/mol
LogP-0.69
Rot. Bonds2

About (2R,4R)-4-acetyl-2-aminopyrrolidine-1,2-dicarboxylic acid

(2R,4R)-4-acetyl-2-aminopyrrolidine-1,2-dicarboxylic acid (PubChem CID 154057545) has the molecular formula C8H12N2O5 and a molecular weight of 216.19 g/mol. Its IUPAC name is (2R,4R)-4-acetyl-2-aminopyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-acetyl-2-aminopyrrolidine-1,2-dicarboxylic acid
PubChem CID154057545
Molecular FormulaC8H12N2O5
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name(2R,4R)-4-acetyl-2-aminopyrrolidine-1,2-dicarboxylic acid
SMILESCC(=O)[C@H]1CN(C(=O)O)[C@@](N)(C(=O)O)C1
InChIInChI=1S/C8H12N2O5/c1-4(11)5-2-8(9,6(12)13)10(3-5)7(14)15/h5H,2-3,9H2,1H3,(H,12,13)(H,14,15)/t5-,8-/m1/s1
InChIKeySUGMNMIJUOSOBR-SVGQVSJJSA-N
XLogP-0.69
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-acetyl-2-aminopyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2R,4R)-4-acetyl-2-aminopyrrolidine-1,2-dicarboxylic acid (CID 154057545) is (2R,4R)-4-acetyl-2-aminopyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-4-acetyl-2-aminopyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R,4R)-4-acetyl-2-aminopyrrolidine-1,2-dicarboxylic acid is CC(=O)[C@H]1CN(C(=O)O)[C@@](N)(C(=O)O)C1.
What is the InChIKey of (2R,4R)-4-acetyl-2-aminopyrrolidine-1,2-dicarboxylic acid?
The InChIKey is SUGMNMIJUOSOBR-SVGQVSJJSA-N. The full InChI is InChI=1S/C8H12N2O5/c1-4(11)5-2-8(9,6(12)13)10(3-5)7(14)15/h5H,2-3,9H2,1H3,(H,12,13)(H,14,15)/t5-,8-/m1/s1.
What are the key properties of (2R,4R)-4-acetyl-2-aminopyrrolidine-1,2-dicarboxylic acid?
(2R,4R)-4-acetyl-2-aminopyrrolidine-1,2-dicarboxylic acid has a molecular weight of 216.19 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-acetyl-2-aminopyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 154057545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).