2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid

C14H24N2O3 — CID 83197573

IUPAC2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C14H24N2O3/c1-14(2,12(17)18)11-6-5-9-16(10-11)13(19)15-7-3-4-8-15/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyBXDSBPOPDHHBFR-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.03
Rot. Bonds2

About 2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid

2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 83197573) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID83197573
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C14H24N2O3/c1-14(2,12(17)18)11-6-5-9-16(10-11)13(19)15-7-3-4-8-15/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyBXDSBPOPDHHBFR-UHFFFAOYSA-N
XLogP2.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
2-methyl-2-[1-(2-methylpyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197993
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198528
2-[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197641
2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197354
2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83199688
2-methyl-2-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]propanoic acid
CID 83197951
2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83197207
2-[1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199818
2-[1-(2-chlorobenzoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198634
2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197298
2-[1-(but-3-ynylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198220

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid (CID 83197573) is 2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid is CC(C)(C(=O)O)C1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of 2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is BXDSBPOPDHHBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2,12(17)18)11-6-5-9-16(10-11)13(19)15-7-3-4-8-15/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid?
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83197573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).