2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid

C13H23NO3 — CID 55105089

IUPAC2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid
SMILESCCC(CC)C(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C13H23NO3/c1-3-11(4-2)13(17)14-7-5-6-10(9-14)8-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyFMYXNOJCKCDGMT-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.14
Rot. Bonds5

About 2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid

2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid (PubChem CID 55105089) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid
PubChem CID55105089
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid
SMILESCCC(CC)C(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C13H23NO3/c1-3-11(4-2)13(17)14-7-5-6-10(9-14)8-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyFMYXNOJCKCDGMT-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]acetic acid
CID 65228465
2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid
CID 64604130
2-[1-(3-amino-2-methylpropanoyl)piperidin-3-yl]acetic acid
CID 62669859
[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide
CID 96515238
2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid
CID 103500361
2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43422444
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689121
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-[1-(pentan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690824
2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 62371308
2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one
CID 62372858
2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid
CID 62689796

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid (CID 55105089) is 2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid is CCC(CC)C(=O)N1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid?
The InChIKey is FMYXNOJCKCDGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-11(4-2)13(17)14-7-5-6-10(9-14)8-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid?
2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid has a molecular weight of 241.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 55105089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).