2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid

C18H33N3O3 — CID 122009847

IUPAC2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(C(=O)NC2CCC(C)C(C)C2)CC1
InChIInChI=1S/C18H33N3O3/c1-4-20(12-17(22)23)16-7-9-21(10-8-16)18(24)19-15-6-5-13(2)14(3)11-15/h13-16H,4-12H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyQYNFYCTZNRDLDG-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.39
Rot. Bonds5

About 2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid

2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid (PubChem CID 122009847) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid
PubChem CID122009847
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(C(=O)NC2CCC(C)C(C)C2)CC1
InChIInChI=1S/C18H33N3O3/c1-4-20(12-17(22)23)16-7-9-21(10-8-16)18(24)19-15-6-5-13(2)14(3)11-15/h13-16H,4-12H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyQYNFYCTZNRDLDG-UHFFFAOYSA-N
XLogP2.39
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042518
2-[ethyl-[1-[[3-(4-fluorophenyl)cyclopentyl]carbamoyl]piperidin-4-yl]amino]acetic acid
CID 122012539
2-[[3-[(4-cyclopentyloxypiperidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122026751
2-[[3-[(3-cyclopropylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122025748
2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid
CID 122005078
2-[[3-[(4-cyclobutylpiperazine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122025483
2-[ethyl-[3-[[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025782
2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid
CID 64742546
2-[ethyl-[3-[(4-ethyl-1,4-diazepane-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122026148
2-[ethyl-[3-[[4-(3-pyrrolidin-1-ylpropyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026129
2-[ethyl-[3-[[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025408
2-[ethyl-[3-[[4-(2-phenylethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026996

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid?
The IUPAC name of 2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid (CID 122009847) is 2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CCN(C(=O)NC2CCC(C)C(C)C2)CC1.
What is the InChIKey of 2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid?
The InChIKey is QYNFYCTZNRDLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-4-20(12-17(22)23)16-7-9-21(10-8-16)18(24)19-15-6-5-13(2)14(3)11-15/h13-16H,4-12H2,1-3H3,(H,19,24)(H,22,23).
What are the key properties of 2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid?
2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid has a molecular weight of 339.48 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid is sourced from PubChem (CID 122009847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).