(2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C12H18N2O5 — CID 63841632

IUPAC(2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN1CC(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC1=O
InChIInChI=1S/C12H18N2O5/c1-2-13-5-7(3-10(13)16)11(17)14-6-8(15)4-9(14)12(18)19/h7-9,15H,2-6H2,1H3,(H,18,19)/t7?,8-,9+/m1/s1
InChIKeyBEISYUBGILFPGT-ASODMVGOSA-N
MW270.28 g/mol
LogP-1.10
Rot. Bonds3

About (2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 63841632) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID63841632
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name(2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN1CC(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC1=O
InChIInChI=1S/C12H18N2O5/c1-2-13-5-7(3-10(13)16)11(17)14-6-8(15)4-9(14)12(18)19/h7-9,15H,2-6H2,1H3,(H,18,19)/t7?,8-,9+/m1/s1
InChIKeyBEISYUBGILFPGT-ASODMVGOSA-N
XLogP-1.10
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-1.10
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)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 61152370
(2R,4R)-4-hydroxy-1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 79000621
(2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844018
1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119136902
(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
(2S,4R)-1-(cycloheptanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55262089
(2S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30046185
1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775594
1-(2,3-dihydro-1H-indene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106892310
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 63841632) is (2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is CCN1CC(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC1=O.
What is the InChIKey of (2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is BEISYUBGILFPGT-ASODMVGOSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-2-13-5-7(3-10(13)16)11(17)14-6-8(15)4-9(14)12(18)19/h7-9,15H,2-6H2,1H3,(H,18,19)/t7?,8-,9+/m1/s1.
What are the key properties of (2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63841632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).