2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid

C15H26N2O3 — CID 104598443

IUPAC2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid
SMILESCC(C)C1CCN(C(=O)N2CCCCC2(C)C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-11(2)12-6-9-16(10-12)14(20)17-8-5-4-7-15(17,3)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyOZZYLXLCNSQCSK-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.41
Rot. Bonds2

About 2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid

2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid (PubChem CID 104598443) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid
PubChem CID104598443
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid
SMILESCC(C)C1CCN(C(=O)N2CCCCC2(C)C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-11(2)12-6-9-16(10-12)14(20)17-8-5-4-7-15(17,3)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyOZZYLXLCNSQCSK-UHFFFAOYSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106836777
1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 106670570
2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 104598177
1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 114679570
2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 114538735
2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid
CID 104597977
1-(2,6-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597846
1-(4,4-difluorocyclohexanecarbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104594727
1-(2-aminopropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597343
2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid
CID 104595515
1-(2,2-dimethylmorpholine-4-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597949
1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104598178

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid (CID 104598443) is 2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid is CC(C)C1CCN(C(=O)N2CCCCC2(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is OZZYLXLCNSQCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(2)12-6-9-16(10-12)14(20)17-8-5-4-7-15(17,3)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid?
2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104598443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).