2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid

C17H30N2O3 — CID 122126135

IUPAC2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(C(=O)C2CCCCC2C)CC1
InChIInChI=1S/C17H30N2O3/c1-3-18(12-16(20)21)14-8-10-19(11-9-14)17(22)15-7-5-4-6-13(15)2/h13-15H,3-12H2,1-2H3,(H,20,21)
InChIKeyRZVCLZJZHHWYGS-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.21
Rot. Bonds5

About 2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid

2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid (PubChem CID 122126135) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid
PubChem CID122126135
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(C(=O)C2CCCCC2C)CC1
InChIInChI=1S/C17H30N2O3/c1-3-18(12-16(20)21)14-8-10-19(11-9-14)17(22)15-7-5-4-6-13(15)2/h13-15H,3-12H2,1-2H3,(H,20,21)
InChIKeyRZVCLZJZHHWYGS-UHFFFAOYSA-N
XLogP2.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(2-methylcyclohexyl)amino]acetic acid
CID 65063082
2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122009847
2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid
CID 129007942
2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid
CID 66564244
2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid
CID 122005078
2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid
CID 107175580
2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 79115346
2-[[3-[(4-cyclopentyloxypiperidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122026751
2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 43246110
2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid
CID 54945212
2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122001416
2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 54945218

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid (CID 122126135) is 2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid is CCN(CC(=O)O)C1CCN(C(=O)C2CCCCC2C)CC1.
What is the InChIKey of 2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid?
The InChIKey is RZVCLZJZHHWYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-3-18(12-16(20)21)14-8-10-19(11-9-14)17(22)15-7-5-4-6-13(15)2/h13-15H,3-12H2,1-2H3,(H,20,21).
What are the key properties of 2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid?
2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid has a molecular weight of 310.44 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122126135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).