(2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid

C12H20N2O4 — CID 113430852

IUPAC(2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CCCCN1
InChIInChI=1S/C12H20N2O4/c1-12(4-2-3-5-13-12)11(18)14-7-8(15)6-9(14)10(16)17/h8-9,13,15H,2-7H2,1H3,(H,16,17)/t8-,9-,12?/m1/s1
InChIKeyWQLNVGUQIOGCRE-LSLJNABFSA-N
MW256.30 g/mol
LogP-0.44
Rot. Bonds2

About (2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 113430852) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID113430852
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CCCCN1
InChIInChI=1S/C12H20N2O4/c1-12(4-2-3-5-13-12)11(18)14-7-8(15)6-9(14)10(16)17/h8-9,13,15H,2-7H2,1H3,(H,16,17)/t8-,9-,12?/m1/s1
InChIKeyWQLNVGUQIOGCRE-LSLJNABFSA-N
XLogP-0.44
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)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-methyl-1-(2-methylpiperidine-2-carbonyl)piperidine-2-carboxylic acid
CID 114424707
4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 106826144
4-methyl-1-(2-methylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 114424626
(2S,4R)-1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844209
(3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone
CID 107217478
(2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106974847
(2S,4S)-1-[1-(aminomethyl)cyclohexanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115437924
(2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115443975
(2S,4R)-4-hydroxy-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 106980719
(2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115448609
(2S,4S)-1-[1-(aminomethyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115453405
(2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000054

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 113430852) is (2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid is CC1(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CCCCN1.
What is the InChIKey of (2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WQLNVGUQIOGCRE-LSLJNABFSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(4-2-3-5-13-12)11(18)14-7-8(15)6-9(14)10(16)17/h8-9,13,15H,2-7H2,1H3,(H,16,17)/t8-,9-,12?/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 113430852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).