(2R,4R)-4-hydroxy-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid

C11H15N3O6 — CID 79014069

IUPAC(2R,4R)-4-hydroxy-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN1C(=O)CC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)C1=O
InChIInChI=1S/C11H15N3O6/c1-13-8(16)3-6(9(13)17)12-11(20)14-4-5(15)2-7(14)10(18)19/h5-7,15H,2-4H2,1H3,(H,12,20)(H,18,19)/t5-,6?,7-/m1/s1
InChIKeyAOSBPVAQOOPYAE-YFBHCESUSA-N
MW285.26 g/mol
LogP-2.03
Rot. Bonds2

About (2R,4R)-4-hydroxy-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 79014069) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID79014069
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name(2R,4R)-4-hydroxy-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN1C(=O)CC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)C1=O
InChIInChI=1S/C11H15N3O6/c1-13-8(16)3-6(9(13)17)12-11(20)14-4-5(15)2-7(14)10(18)19/h5-7,15H,2-4H2,1H3,(H,12,20)(H,18,19)/t5-,6?,7-/m1/s1
InChIKeyAOSBPVAQOOPYAE-YFBHCESUSA-N
XLogP-2.03
TPSA127.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-hydroxy-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 106257927
(2S,4S)-4-hydroxy-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64712230
(2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63844255
(2S)-1-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61187010
(2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844018
4-hydroxy-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55033395
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide
CID 116656505
(2S,4R)-1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 107842979
(2S,4R)-1-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841825
4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61222918
1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 113364557
(2S,4S)-1-[(2,2-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79878536

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 79014069) is (2R,4R)-4-hydroxy-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid is CN1C(=O)CC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)C1=O.
What is the InChIKey of (2R,4R)-4-hydroxy-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AOSBPVAQOOPYAE-YFBHCESUSA-N. The full InChI is InChI=1S/C11H15N3O6/c1-13-8(16)3-6(9(13)17)12-11(20)14-4-5(15)2-7(14)10(18)19/h5-7,15H,2-4H2,1H3,(H,12,20)(H,18,19)/t5-,6?,7-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of -2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79014069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).