4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid

C14H26N2O4 — CID 106498584

IUPAC4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCCNC(=O)CN(CC)CC1(O)CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-3-15-12(17)9-16(4-2)10-14(20)7-5-11(6-8-14)13(18)19/h11,20H,3-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyXBUXLPNHPVJQFJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.45
Rot. Bonds7

About 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid

4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 106498584) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID106498584
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCCNC(=O)CN(CC)CC1(O)CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-3-15-12(17)9-16(4-2)10-14(20)7-5-11(6-8-14)13(18)19/h11,20H,3-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyXBUXLPNHPVJQFJ-UHFFFAOYSA-N
XLogP0.45
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid (CID 106498584) is 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid is CCNC(=O)CN(CC)CC1(O)CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is XBUXLPNHPVJQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-15-12(17)9-16(4-2)10-14(20)7-5-11(6-8-14)13(18)19/h11,20H,3-10H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 106498584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).