(2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid

C11H20N2O4 — CID 68849519

IUPAC(2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)C(=O)OC[C@H]1C[C@@H](N)CN1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(2,3)9(14)17-6-8-4-7(12)5-13(8)10(15)16/h7-8H,4-6,12H2,1-3H3,(H,15,16)/t7-,8-/m1/s1
InChIKeyXGPKVMJQRVBSHY-HTQZYQBOSA-N
MW244.29 g/mol
LogP0.66
Rot. Bonds2

About (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid

(2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 68849519) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID68849519
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)C(=O)OC[C@H]1C[C@@H](N)CN1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(2,3)9(14)17-6-8-4-7(12)5-13(8)10(15)16/h7-8H,4-6,12H2,1-3H3,(H,15,16)/t7-,8-/m1/s1
InChIKeyXGPKVMJQRVBSHY-HTQZYQBOSA-N
XLogP0.66
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid (CID 68849519) is (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid is CC(C)(C)C(=O)OC[C@H]1C[C@@H](N)CN1C(=O)O.
What is the InChIKey of (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is XGPKVMJQRVBSHY-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)9(14)17-6-8-4-7(12)5-13(8)10(15)16/h7-8H,4-6,12H2,1-3H3,(H,15,16)/t7-,8-/m1/s1.
What are the key properties of (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid?
(2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68849519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).