2-methyl-3-(4-pyrrolidin-2-ylpiperidin-1-yl)butanoic acid

C14H26N2O2 — CID 79414419

IUPAC2-methyl-3-(4-pyrrolidin-2-ylpiperidin-1-yl)butanoic acid
SMILESCC(C(=O)O)C(C)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C14H26N2O2/c1-10(14(17)18)11(2)16-8-5-12(6-9-16)13-4-3-7-15-13/h10-13,15H,3-9H2,1-2H3,(H,17,18)
InChIKeyCAZQEXBLKPZTMG-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.56
Rot. Bonds4

About 2-methyl-3-(4-pyrrolidin-2-ylpiperidin-1-yl)butanoic acid

2-methyl-3-(4-pyrrolidin-2-ylpiperidin-1-yl)butanoic acid (PubChem CID 79414419) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-methyl-3-(4-pyrrolidin-2-ylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-methyl-3-(4-pyrrolidin-2-ylpiperidin-1-yl)butanoic acid
PubChem CID79414419
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-methyl-3-(4-pyrrolidin-2-ylpiperidin-1-yl)butanoic acid
SMILESCC(C(=O)O)C(C)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C14H26N2O2/c1-10(14(17)18)11(2)16-8-5-12(6-9-16)13-4-3-7-15-13/h10-13,15H,3-9H2,1-2H3,(H,17,18)
InChIKeyCAZQEXBLKPZTMG-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)propanamide
CID 63259226
2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 63259596
3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid
CID 79407467
2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 112703555
N-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63259652
2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119999275
N,N-di(propan-2-yl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63259221
1-(3-methylbutan-2-yl)-3-pyrrolidin-2-ylpiperidine
CID 60978804
(E)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)but-2-en-1-one
CID 63259333
cyclopentyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259153
2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid
CID 79406833
(4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477511

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-pyrrolidin-2-ylpiperidin-1-yl)butanoic acid?
The IUPAC name of 2-methyl-3-(4-pyrrolidin-2-ylpiperidin-1-yl)butanoic acid (CID 79414419) is 2-methyl-3-(4-pyrrolidin-2-ylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 2-methyl-3-(4-pyrrolidin-2-ylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 2-methyl-3-(4-pyrrolidin-2-ylpiperidin-1-yl)butanoic acid is CC(C(=O)O)C(C)N1CCC(C2CCCN2)CC1.
What is the InChIKey of 2-methyl-3-(4-pyrrolidin-2-ylpiperidin-1-yl)butanoic acid?
The InChIKey is CAZQEXBLKPZTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(14(17)18)11(2)16-8-5-12(6-9-16)13-4-3-7-15-13/h10-13,15H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-3-(4-pyrrolidin-2-ylpiperidin-1-yl)butanoic acid?
2-methyl-3-(4-pyrrolidin-2-ylpiperidin-1-yl)butanoic acid has a molecular weight of 254.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-pyrrolidin-2-ylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 79414419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).