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

C16H30N2O2 — CID 106814125

IUPAC2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
SMILESCCC1CCCCC1N1CCCC(CNCC(=O)O)C1
InChIInChI=1S/C16H30N2O2/c1-2-14-7-3-4-8-15(14)18-9-5-6-13(12-18)10-17-11-16(19)20/h13-15,17H,2-12H2,1H3,(H,19,20)
InChIKeyBINPHPNNIONDCN-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.34
Rot. Bonds6

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

2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106814125) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106814125
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
SMILESCCC1CCCCC1N1CCCC(CNCC(=O)O)C1
InChIInChI=1S/C16H30N2O2/c1-2-14-7-3-4-8-15(14)18-9-5-6-13(12-18)10-17-11-16(19)20/h13-15,17H,2-12H2,1H3,(H,19,20)
InChIKeyBINPHPNNIONDCN-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid
CID 106813876
N-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methyl]propan-2-amine
CID 63863250
2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
CID 106814208
2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106813828
methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate
CID 115537102
N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 55081632
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid
CID 106813964
2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814212
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid
CID 131186064
2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid
CID 106813990
2-[[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120727075

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid (CID 106814125) is 2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid is CCC1CCCCC1N1CCCC(CNCC(=O)O)C1.
What is the InChIKey of 2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is BINPHPNNIONDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-14-7-3-4-8-15(14)18-9-5-6-13(12-18)10-17-11-16(19)20/h13-15,17H,2-12H2,1H3,(H,19,20).
What are the key properties of 2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 282.43 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106814125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).