(2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid

C13H22N2O4 — CID 106974847

IUPAC(2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)N2CC(O)C[C@H]2C(=O)O)CCCN1
InChIInChI=1S/C13H22N2O4/c1-2-4-13(5-3-6-14-13)12(19)15-8-9(16)7-10(15)11(17)18/h9-10,14,16H,2-8H2,1H3,(H,17,18)/t9?,10-,13?/m0/s1
InChIKeyLRDQXQWDEDGLGA-QUNCOHTASA-N
MW270.33 g/mol
LogP-0.04
Rot. Bonds4

About (2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 106974847) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID106974847
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)N2CC(O)C[C@H]2C(=O)O)CCCN1
InChIInChI=1S/C13H22N2O4/c1-2-4-13(5-3-6-14-13)12(19)15-8-9(16)7-10(15)11(17)18/h9-10,14,16H,2-8H2,1H3,(H,17,18)/t9?,10-,13?/m0/s1
InChIKeyLRDQXQWDEDGLGA-QUNCOHTASA-N
XLogP-0.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106974816
(2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 106975422
1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
CID 106975316
(2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 113430852
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone
CID 106975639
N-methyl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 106974725
4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 106826144
1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 83071672
3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 83071822
1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
CID 83072399
(2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115448609
N-ethyl-4-(2-propylpyrrolidine-2-carbonyl)morpholine-3-carboxamide
CID 106975697

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 106974847) is (2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid is CCCC1(C(=O)N2CC(O)C[C@H]2C(=O)O)CCCN1.
What is the InChIKey of (2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LRDQXQWDEDGLGA-QUNCOHTASA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-4-13(5-3-6-14-13)12(19)15-8-9(16)7-10(15)11(17)18/h9-10,14,16H,2-8H2,1H3,(H,17,18)/t9?,10-,13?/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106974847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).