(2S)-1-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C11H18N2O6 — CID 54998325

IUPAC(2S)-1-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN(CC(=O)OC)C(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C11H18N2O6/c1-3-12(6-9(15)19-2)11(18)13-5-7(14)4-8(13)10(16)17/h7-8,14H,3-6H2,1-2H3,(H,16,17)/t7?,8-/m0/s1
InChIKeyHEYGAPFUDUCJGN-MQWKRIRWSA-N
MW274.27 g/mol
LogP-0.88
Rot. Bonds4

About (2S)-1-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-1-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 54998325) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is (2S)-1-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID54998325
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name(2S)-1-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN(CC(=O)OC)C(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C11H18N2O6/c1-3-12(6-9(15)19-2)11(18)13-5-7(14)4-8(13)10(16)17/h7-8,14H,3-6H2,1-2H3,(H,16,17)/t7?,8-/m0/s1
InChIKeyHEYGAPFUDUCJGN-MQWKRIRWSA-N
XLogP-0.88
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 54998325) is (2S)-1-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CCN(CC(=O)OC)C(=O)N1CC(O)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is HEYGAPFUDUCJGN-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-3-12(6-9(15)19-2)11(18)13-5-7(14)4-8(13)10(16)17/h7-8,14H,3-6H2,1-2H3,(H,16,17)/t7?,8-/m0/s1.
What are the key properties of (2S)-1-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-1-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 274.27 g/mol, XLogP of -0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54998325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).