(2S)-4-hydroxy-1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid

C13H21N3O5 — CID 61440062

IUPAC(2S)-4-hydroxy-1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(CC(=O)N1CCCC1)C(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C13H21N3O5/c1-14(8-11(18)15-4-2-3-5-15)13(21)16-7-9(17)6-10(16)12(19)20/h9-10,17H,2-8H2,1H3,(H,19,20)/t9?,10-/m0/s1
InChIKeyFQZLWFZJXALPKA-AXDSSHIGSA-N
MW299.33 g/mol
LogP-0.82
Rot. Bonds3

About (2S)-4-hydroxy-1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61440062) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61440062
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name(2S)-4-hydroxy-1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(CC(=O)N1CCCC1)C(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C13H21N3O5/c1-14(8-11(18)15-4-2-3-5-15)13(21)16-7-9(17)6-10(16)12(19)20/h9-10,17H,2-8H2,1H3,(H,19,20)/t9?,10-/m0/s1
InChIKeyFQZLWFZJXALPKA-AXDSSHIGSA-N
XLogP-0.82
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841664
(2S)-1-[2,2-difluoroethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 104871074
(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
(2S,4S)-4-hydroxy-1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713208
(2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63657175
(2S)-1-[butyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61184805
(2R,4R)-1-[butyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999862
(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)-4-hydroxy-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79865146
4-hydroxy-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994406

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61440062) is (2S)-4-hydroxy-1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid is CN(CC(=O)N1CCCC1)C(=O)N1CC(O)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FQZLWFZJXALPKA-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-14(8-11(18)15-4-2-3-5-15)13(21)16-7-9(17)6-10(16)12(19)20/h9-10,17H,2-8H2,1H3,(H,19,20)/t9?,10-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61440062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).