1-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-propan-2-ylcyclohexane-1-carboxylic acid

C14H25NO4 — CID 79428850

IUPAC1-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C1CCC(CC(=O)NCCO)(C(=O)O)CC1
InChIInChI=1S/C14H25NO4/c1-10(2)11-3-5-14(6-4-11,13(18)19)9-12(17)15-7-8-16/h10-11,16H,3-9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyRMJXZEGCQAHOTP-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.40
Rot. Bonds6

About 1-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-propan-2-ylcyclohexane-1-carboxylic acid

1-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 79428850) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID79428850
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C1CCC(CC(=O)NCCO)(C(=O)O)CC1
InChIInChI=1S/C14H25NO4/c1-10(2)11-3-5-14(6-4-11,13(18)19)9-12(17)15-7-8-16/h10-11,16H,3-9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyRMJXZEGCQAHOTP-UHFFFAOYSA-N
XLogP1.40
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-(2-propan-2-yloxyethylamino)ethyl]cyclopentane-1-carboxylic acid
CID 113449940
1-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60889868
1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 62975025
1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62975203
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-(2-hydroxybutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 79429049
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
1-[2-(6-hydroxyhexylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107846493
1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402208
1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65425689
1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63243934
1-[2-(butylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529487

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-propan-2-ylcyclohexane-1-carboxylic acid (CID 79428850) is 1-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-propan-2-ylcyclohexane-1-carboxylic acid is CC(C)C1CCC(CC(=O)NCCO)(C(=O)O)CC1.
What is the InChIKey of 1-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is RMJXZEGCQAHOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(2)11-3-5-14(6-4-11,13(18)19)9-12(17)15-7-8-16/h10-11,16H,3-9H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 1-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-propan-2-ylcyclohexane-1-carboxylic acid?
1-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 79428850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).