1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid

C14H25NO4 — CID 113477001

IUPAC1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCCOC(C)CNC(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H25NO4/c1-3-19-11(2)10-15-12(16)9-14(13(17)18)7-5-4-6-8-14/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHFEQLGVKVOLVOS-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.95
Rot. Bonds7

About 1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 113477001) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID113477001
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCCOC(C)CNC(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H25NO4/c1-3-19-11(2)10-15-12(16)9-14(13(17)18)7-5-4-6-8-14/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHFEQLGVKVOLVOS-UHFFFAOYSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 102694595
1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 54868105
1-[2-[2-(dimethylamino)propylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 54913080
2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide
CID 113459978
1-[2-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 107214925
1-[2-oxo-2-(2-propan-2-yloxyethylamino)ethyl]cyclopentane-1-carboxylic acid
CID 113449940
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529300
1-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 66178021
1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61499207
1-[2-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107151197

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 113477001) is 1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid is CCOC(C)CNC(=O)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is HFEQLGVKVOLVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-19-11(2)10-15-12(16)9-14(13(17)18)7-5-4-6-8-14/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 113477001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).