(2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid

C11H16N2O5 — CID 63844018

IUPAC(2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCN1CC(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC1=O
InChIInChI=1S/C11H16N2O5/c1-12-4-6(2-9(12)15)10(16)13-5-7(14)3-8(13)11(17)18/h6-8,14H,2-5H2,1H3,(H,17,18)/t6?,7-,8+/m1/s1
InChIKeyQJOMZZHDBGOZJR-VVXQKDJTSA-N
MW256.26 g/mol
LogP-1.49
Rot. Bonds2

About (2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 63844018) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID63844018
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name(2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCN1CC(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC1=O
InChIInChI=1S/C11H16N2O5/c1-12-4-6(2-9(12)15)10(16)13-5-7(14)3-8(13)11(17)18/h6-8,14H,2-5H2,1H3,(H,17,18)/t6?,7-,8+/m1/s1
InChIKeyQJOMZZHDBGOZJR-VVXQKDJTSA-N
XLogP-1.49
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79001063
(2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841632
(2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 79000621
(2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 61152370
(2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83192599
(2S,4R)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83192354
1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775594
(2S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30046185
1-(2,3-dihydro-1H-indene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106892310
(2S,4R)-1-(cycloheptanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55262089
(2R,4R)-4-hydroxy-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79014069
(2S,4S)-4-methoxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxamide
CID 136581842

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 63844018) is (2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid is CN1CC(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC1=O.
What is the InChIKey of (2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QJOMZZHDBGOZJR-VVXQKDJTSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-12-4-6(2-9(12)15)10(16)13-5-7(14)3-8(13)11(17)18/h6-8,14H,2-5H2,1H3,(H,17,18)/t6?,7-,8+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of -1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63844018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).