(2S,4S)-4-(carboxymethylcarbamoyloxy)-1-propan-2-ylpyrrolidine-2-carboxylic acid

C11H18N2O6 — CID 174111241

IUPAC(2S,4S)-4-(carboxymethylcarbamoyloxy)-1-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCC(C)N1C[C@@H](OC(=O)NCC(=O)O)C[C@H]1C(=O)O
InChIInChI=1S/C11H18N2O6/c1-6(2)13-5-7(3-8(13)10(16)17)19-11(18)12-4-9(14)15/h6-8H,3-5H2,1-2H3,(H,12,18)(H,14,15)(H,16,17)/t7-,8-/m0/s1
InChIKeyZREJREZGGSXEJZ-YUMQZZPRSA-N
MW274.27 g/mol
LogP-0.27
Rot. Bonds5

About (2S,4S)-4-(carboxymethylcarbamoyloxy)-1-propan-2-ylpyrrolidine-2-carboxylic acid

(2S,4S)-4-(carboxymethylcarbamoyloxy)-1-propan-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 174111241) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is (2S,4S)-4-(carboxymethylcarbamoyloxy)-1-propan-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-(carboxymethylcarbamoyloxy)-1-propan-2-ylpyrrolidine-2-carboxylic acid
PubChem CID174111241
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name(2S,4S)-4-(carboxymethylcarbamoyloxy)-1-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCC(C)N1C[C@@H](OC(=O)NCC(=O)O)C[C@H]1C(=O)O
InChIInChI=1S/C11H18N2O6/c1-6(2)13-5-7(3-8(13)10(16)17)19-11(18)12-4-9(14)15/h6-8H,3-5H2,1-2H3,(H,12,18)(H,14,15)(H,16,17)/t7-,8-/m0/s1
InChIKeyZREJREZGGSXEJZ-YUMQZZPRSA-N
XLogP-0.27
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(carboxymethylcarbamoyloxy)-1-propan-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-(carboxymethylcarbamoyloxy)-1-propan-2-ylpyrrolidine-2-carboxylic acid (CID 174111241) is (2S,4S)-4-(carboxymethylcarbamoyloxy)-1-propan-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-(carboxymethylcarbamoyloxy)-1-propan-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-(carboxymethylcarbamoyloxy)-1-propan-2-ylpyrrolidine-2-carboxylic acid is CC(C)N1C[C@@H](OC(=O)NCC(=O)O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-4-(carboxymethylcarbamoyloxy)-1-propan-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is ZREJREZGGSXEJZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-6(2)13-5-7(3-8(13)10(16)17)19-11(18)12-4-9(14)15/h6-8H,3-5H2,1-2H3,(H,12,18)(H,14,15)(H,16,17)/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-4-(carboxymethylcarbamoyloxy)-1-propan-2-ylpyrrolidine-2-carboxylic acid?
(2S,4S)-4-(carboxymethylcarbamoyloxy)-1-propan-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 274.27 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(carboxymethylcarbamoyloxy)-1-propan-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 174111241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).