2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid

C13H24N2O2 — CID 83990535

IUPAC2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid
SMILESCCNC1CC(CC(=O)O)CN(C2CCC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-14-11-6-10(7-13(16)17)8-15(9-11)12-4-3-5-12/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyJJYBNADRLAEQKN-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.31
Rot. Bonds5

About 2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid

2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid (PubChem CID 83990535) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid
PubChem CID83990535
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid
SMILESCCNC1CC(CC(=O)O)CN(C2CCC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-14-11-6-10(7-13(16)17)8-15(9-11)12-4-3-5-12/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyJJYBNADRLAEQKN-UHFFFAOYSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid
CID 83997306
2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid
CID 83993142
2-[1-cyclopentyl-5-(cyclopropylamino)piperidin-3-yl]acetic acid
CID 83991764
2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid
CID 83999366
2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992463
methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate
CID 83990533
1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid
CID 83990502
methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate
CID 83998723
1-cyclopropyl-N-ethyl-5-propylpiperidin-3-amine
CID 83990496
3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid
CID 83998032
2-[1-(3-methylcyclohexyl)azetidin-3-yl]acetic acid
CID 64617498
2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid
CID 83998054

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid (CID 83990535) is 2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid is CCNC1CC(CC(=O)O)CN(C2CCC2)C1.
What is the InChIKey of 2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid?
The InChIKey is JJYBNADRLAEQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-14-11-6-10(7-13(16)17)8-15(9-11)12-4-3-5-12/h10-12,14H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid?
2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid has a molecular weight of 240.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid is sourced from PubChem (CID 83990535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).