2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid

C13H23NO4 — CID 65243348

IUPAC2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid
SMILESCOCCC(=O)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H23NO4/c1-14(11(15)6-9-18-2)13(10-12(16)17)7-4-3-5-8-13/h3-10H2,1-2H3,(H,16,17)
InChIKeyZTPJYMOBNQHTDD-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.66
Rot. Bonds6

About 2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid

2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid (PubChem CID 65243348) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid
PubChem CID65243348
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid
SMILESCOCCC(=O)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H23NO4/c1-14(11(15)6-9-18-2)13(10-12(16)17)7-4-3-5-8-13/h3-10H2,1-2H3,(H,16,17)
InChIKeyZTPJYMOBNQHTDD-UHFFFAOYSA-N
XLogP1.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
CID 65242914
2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
2-[1-[4-methoxybutan-2-yl(methyl)amino]cyclohexyl]acetic acid
CID 65241027
2-[1-[[2-[acetyl(methyl)amino]acetyl]-methylamino]cyclohexyl]acetic acid
CID 65238340
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid
CID 65243143
2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid
CID 65243009
2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid
CID 116503333
2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid
CID 65240691
2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65242776
2-[1-[[(2R)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 79005049
2-[1-[[(2S)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 65240598

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid (CID 65243348) is 2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid is COCCC(=O)N(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid?
The InChIKey is ZTPJYMOBNQHTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-14(11(15)6-9-18-2)13(10-12(16)17)7-4-3-5-8-13/h3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid?
2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65243348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).