(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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Related Compounds

(2S)-1-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79386472
1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 113468851
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61439519
(2S,4S)-4-hydroxy-1-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64712728
1-[cyclopentyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61209949
(2S,4R)-4-hydroxy-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63842880
(2R,4R)-1-[2-cyanopropyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999882
(2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841659
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662
4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61428576
(2S,4S)-1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714645
(2S,4R)-1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 55260171

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).