1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid

C15H28N2O2 — CID 117005840

IUPAC1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CCN1CCCC(N2CCC(C(=O)O)C2)C1
InChIInChI=1S/C15H28N2O2/c1-12(2)5-8-16-7-3-4-14(11-16)17-9-6-13(10-17)15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeyYWRVQAXRODAJIC-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.90
Rot. Bonds5

About 1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid

1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid (PubChem CID 117005840) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid
PubChem CID117005840
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CCN1CCCC(N2CCC(C(=O)O)C2)C1
InChIInChI=1S/C15H28N2O2/c1-12(2)5-8-16-7-3-4-14(11-16)17-9-6-13(10-17)15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeyYWRVQAXRODAJIC-UHFFFAOYSA-N
XLogP1.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-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

1,4-Dimethyl-2-piperazineacetic acid
CID 3146197
1-[2-(2-Fluoropyrrolidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 140043203
5-Oxo-1-[2-(1-piperidinyl)ethyl]-3-pyrrolidinecarboxylic acid
CID 42652521
1-(3-Fluoropropyl)-2-methylpyrrolidine-3-carboxylic acid
CID 81114367
1-(1-Methylpiperidin-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 81714622
3-Fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
CID 115037780
1-(2-(Dimethylamino)ethyl)piperidine-4-carboxylic acid
CID 6484124
2-[(2R)-1,4-dimethylpiperazin-2-yl]acetic acid
CID 7446868
1-[2-Oxo-2-(piperidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 22322970
2-[(2S)-1,4-dimethylpiperazin-2-yl]acetic acid
CID 28305661
1-(1-Methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 42656792
1-Piperidin-3-ylpyrrolidine-3-carboxylic acid
CID 53414007

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid (CID 117005840) is 1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid is CC(C)CCN1CCCC(N2CCC(C(=O)O)C2)C1.
What is the InChIKey of 1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is YWRVQAXRODAJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)5-8-16-7-3-4-14(11-16)17-9-6-13(10-17)15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid?
1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117005840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).