1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

C13H23NO3 — CID 43437249

IUPAC1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCCCN(C)C(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H23NO3/c1-3-9-14(2)11(15)10-13(12(16)17)7-5-4-6-8-13/h3-10H2,1-2H3,(H,16,17)
InChIKeyMGQYZTFLBVSBKA-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.28
Rot. Bonds5

About 1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 43437249) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID43437249
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCCCN(C)C(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H23NO3/c1-3-9-14(2)11(15)10-13(12(16)17)7-5-4-6-8-13/h3-10H2,1-2H3,(H,16,17)
InChIKeyMGQYZTFLBVSBKA-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437254
1-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114230125
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437234
1-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 113499545
1-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107198577
1-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 63207757
1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43529142
1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63880287
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60948403
1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60662129
1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43588299

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 43437249) is 1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is CCCN(C)C(=O)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is MGQYZTFLBVSBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-9-14(2)11(15)10-13(12(16)17)7-5-4-6-8-13/h3-10H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43437249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).