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

C13H21NO3 — CID 83198260

IUPAC2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C13H21NO3/c1-13(2,12(16)17)10-4-3-7-14(8-10)11(15)9-5-6-9/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyBAEXQPSHWMENRO-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.75
Rot. Bonds3

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

2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 83198260) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
PubChem CID83198260
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C13H21NO3/c1-13(2,12(16)17)10-4-3-7-14(8-10)11(15)9-5-6-9/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyBAEXQPSHWMENRO-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 75517092
2-methyl-2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83197741
2-methyl-2-[1-(2-methylpyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197993
2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83197207
2-methyl-2-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]propanoic acid
CID 83197951
2-[1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199818
cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97005184
2-[1-(2-chlorobenzoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198634

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid (CID 83198260) is 2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of 2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is BAEXQPSHWMENRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(2,12(16)17)10-4-3-7-14(8-10)11(15)9-5-6-9/h9-10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid?
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 239.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 83198260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).