2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid

C16H28N2O3 — CID 83199688

IUPAC2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCCC1CCCN1C(=O)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C16H28N2O3/c1-4-13-8-6-10-18(13)15(21)17-9-5-7-12(11-17)16(2,3)14(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyQMCNINFJHDPYSB-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.80
Rot. Bonds3

About 2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid

2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 83199688) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
PubChem CID83199688
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCCC1CCCN1C(=O)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C16H28N2O3/c1-4-13-8-6-10-18(13)15(21)17-9-5-7-12(11-17)16(2,3)14(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyQMCNINFJHDPYSB-UHFFFAOYSA-N
XLogP2.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic 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

2-methyl-2-[1-(2-methylpyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197993
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120297
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
2-[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197641
2-methyl-2-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]propanoic acid
CID 83197951
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198068
2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199554
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198528
2-[1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199818
2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 83199680
2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 104553178

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid (CID 83199688) is 2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid is CCC1CCCN1C(=O)N1CCCC(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is QMCNINFJHDPYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-13-8-6-10-18(13)15(21)17-9-5-7-12(11-17)16(2,3)14(19)20/h12-13H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid?
2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 296.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 83199688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).