2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid

C18H32N2O2 — CID 83998054

IUPAC2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid
SMILESCC1CCC1N1CC(CC(=O)O)CC(NCC2CCCC2)C1
InChIInChI=1S/C18H32N2O2/c1-13-6-7-17(13)20-11-15(9-18(21)22)8-16(12-20)19-10-14-4-2-3-5-14/h13-17,19H,2-12H2,1H3,(H,21,22)
InChIKeyIUCPANDMEQCMMG-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.73
Rot. Bonds6

About 2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid

2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid (PubChem CID 83998054) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid
PubChem CID83998054
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid
SMILESCC1CCC1N1CC(CC(=O)O)CC(NCC2CCCC2)C1
InChIInChI=1S/C18H32N2O2/c1-13-6-7-17(13)20-11-15(9-18(21)22)8-16(12-20)19-10-14-4-2-3-5-14/h13-17,19H,2-12H2,1H3,(H,21,22)
InChIKeyIUCPANDMEQCMMG-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.73
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-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid
CID 83998068
2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid
CID 83996220
2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid
CID 83997711
3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid
CID 83998032
methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate
CID 83998723
2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid
CID 83990535
1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83996673
1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid
CID 83997980
2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid
CID 83993142
5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid
CID 83998672
2-[1-cyclopentyl-5-(cyclopropylamino)piperidin-3-yl]acetic acid
CID 83991764

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid (CID 83998054) is 2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid is CC1CCC1N1CC(CC(=O)O)CC(NCC2CCCC2)C1.
What is the InChIKey of 2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid?
The InChIKey is IUCPANDMEQCMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-13-6-7-17(13)20-11-15(9-18(21)22)8-16(12-20)19-10-14-4-2-3-5-14/h13-17,19H,2-12H2,1H3,(H,21,22).
What are the key properties of 2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid?
2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid has a molecular weight of 308.47 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 83998054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).