1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid

C13H22N2O4 — CID 114679570

IUPAC1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1CN(C(=O)N2CCCC2(C)C(=O)O)CCC1O
InChIInChI=1S/C13H22N2O4/c1-9-8-14(7-4-10(9)16)12(19)15-6-3-5-13(15,2)11(17)18/h9-10,16H,3-8H2,1-2H3,(H,17,18)
InChIKeyCOTPFYCLHBFHTQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.75
Rot. Bonds1

About 1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid

1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 114679570) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID114679570
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1CN(C(=O)N2CCCC2(C)C(=O)O)CCC1O
InChIInChI=1S/C13H22N2O4/c1-9-8-14(7-4-10(9)16)12(19)15-6-3-5-13(15,2)11(17)18/h9-10,16H,3-8H2,1-2H3,(H,17,18)
InChIKeyCOTPFYCLHBFHTQ-UHFFFAOYSA-N
XLogP0.75
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-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

1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 106670570
2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 114538735
2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid
CID 104598443
1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106836777
1-(2-cyanomorpholine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 79676543
2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 104598177
(3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 104941009
1-(2,6-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597846
2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid
CID 104595064
1-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114678079
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019
2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid
CID 104597977

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid (CID 114679570) is 1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid is CC1CN(C(=O)N2CCCC2(C)C(=O)O)CCC1O.
What is the InChIKey of 1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is COTPFYCLHBFHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-8-14(7-4-10(9)16)12(19)15-6-3-5-13(15,2)11(17)18/h9-10,16H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114679570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).