2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid

C14H26N2O3 — CID 65243197

IUPAC2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid
SMILESCCNC(=O)CCN(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O3/c1-3-15-12(17)7-10-16(2)14(11-13(18)19)8-5-4-6-9-14/h3-11H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyTZZLHAGYDJSZIL-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.62
Rot. Bonds7

About 2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid

2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid (PubChem CID 65243197) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid
PubChem CID65243197
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid
SMILESCCNC(=O)CCN(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O3/c1-3-15-12(17)7-10-16(2)14(11-13(18)19)8-5-4-6-9-14/h3-11H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyTZZLHAGYDJSZIL-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-ethylpropanamide
CID 62325485
2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid
CID 65242994
2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid
CID 65243143
2-[1-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]acetic acid
CID 79354977
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide
CID 62008520
3-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-ethylpropanamide
CID 55061632
3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide
CID 62325844
2-[1-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]cyclohexyl]acetic acid
CID 82888447
2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
CID 65242914
2-[1-[(3-cyano-3-methylbutyl)-methylamino]cyclohexyl]acetic acid
CID 65250824
2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid
CID 65243426

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid (CID 65243197) is 2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid is CCNC(=O)CCN(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid?
The InChIKey is TZZLHAGYDJSZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-15-12(17)7-10-16(2)14(11-13(18)19)8-5-4-6-9-14/h3-11H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid?
2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 65243197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).