1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid

C13H22N2O3 — CID 63032464

IUPAC1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C)CCN(C(=O)N2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C13H22N2O3/c1-13(2)4-7-14(8-5-13)12(18)15-6-3-10(9-15)11(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyLZGPVWZQRGMODJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.63
Rot. Bonds1

About 1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid

1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63032464) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63032464
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C)CCN(C(=O)N2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C13H22N2O3/c1-13(2)4-7-14(8-5-13)12(18)15-6-3-10(9-15)11(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyLZGPVWZQRGMODJ-UHFFFAOYSA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 102744970
1-(4-hydroxy-4-methylpiperidine-1-carbonyl)azetidine-3-carboxylic acid
CID 81114915
1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 114082318
1-[2-(4,4-dimethylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid
CID 120533851
1-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030858
1-(4-propylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 55151760
(3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid
CID 81121128
4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid
CID 65282177
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81127706
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 79605697

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid (CID 63032464) is 1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid is CC1(C)CCN(C(=O)N2CCC(C(=O)O)C2)CC1.
What is the InChIKey of 1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LZGPVWZQRGMODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2)4-7-14(8-5-13)12(18)15-6-3-10(9-15)11(16)17/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).