2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid

C15H27NO5 — CID 106305125

IUPAC2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCCOCCO)CCCCC1
InChIInChI=1S/C15H27NO5/c17-8-10-21-9-4-7-16-13(18)11-15(12-14(19)20)5-2-1-3-6-15/h17H,1-12H2,(H,16,18)(H,19,20)
InChIKeyLPOHHAODWMOSHR-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.32
Rot. Bonds10

About 2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 106305125) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID106305125
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCCOCCO)CCCCC1
InChIInChI=1S/C15H27NO5/c17-8-10-21-9-4-7-16-13(18)11-15(12-14(19)20)5-2-1-3-6-15/h17H,1-12H2,(H,16,18)(H,19,20)
InChIKeyLPOHHAODWMOSHR-UHFFFAOYSA-N
XLogP1.32
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106234667
2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
2-[1-[2-[3-[methyl(propan-2-yl)amino]propylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106032490
3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid
CID 104889411
2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 63297334
2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 115686502
2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60919907
2-[1-[2-[2-[methyl(propan-2-yl)amino]ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 62641050
2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 143157350
2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65108169
1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43529686
2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexyl]acetic acid
CID 43235051

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid (CID 106305125) is 2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)NCCCOCCO)CCCCC1.
What is the InChIKey of 2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is LPOHHAODWMOSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c17-8-10-21-9-4-7-16-13(18)11-15(12-14(19)20)5-2-1-3-6-15/h17H,1-12H2,(H,16,18)(H,19,20).
What are the key properties of 2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 301.38 g/mol, XLogP of 1.32, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 106305125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).