(2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid

C11H17NO4 — CID 79000788

IUPAC(2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid
SMILESCCC=C(C)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C11H17NO4/c1-3-4-7(2)10(14)12-6-8(13)5-9(12)11(15)16/h4,8-9,13H,3,5-6H2,1-2H3,(H,15,16)/t8-,9-/m1/s1
InChIKeyLBODEIFYPYYIIR-RKDXNWHRSA-N
MW227.26 g/mol
LogP0.39
Rot. Bonds3

About (2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid (PubChem CID 79000788) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid
PubChem CID79000788
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid
SMILESCCC=C(C)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C11H17NO4/c1-3-4-7(2)10(14)12-6-8(13)5-9(12)11(15)16/h4,8-9,13H,3,5-6H2,1-2H3,(H,15,16)/t8-,9-/m1/s1
InChIKeyLBODEIFYPYYIIR-RKDXNWHRSA-N
XLogP0.39
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid
CID 114427226
1-[(E)-2-methylpent-2-enoyl]pyrrolidine-2-carboxylic acid
CID 24696348
4-hydroxy-1-propanethioylpyrrolidine-2-carboxylic acid
CID 20648963
(2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999436
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2S)-1-(2-ethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61196770
(2S)-4-hydroxy-1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104552967
(2S,4S)-4-hydroxy-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713742
(2S)-4-hydroxy-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61202534
1-docosa-4,7,10,13,16,19-hexaenoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 66690874
1-[(4E,7E,10Z,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 66695423
(2R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778390

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid (CID 79000788) is (2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid is CCC=C(C)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LBODEIFYPYYIIR-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H17NO4/c1-3-4-7(2)10(14)12-6-8(13)5-9(12)11(15)16/h4,8-9,13H,3,5-6H2,1-2H3,(H,15,16)/t8-,9-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79000788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).