3-[(2-cycloheptylacetyl)-methylamino]propanoic acid

C13H23NO3 — CID 115736297

IUPAC3-[(2-cycloheptylacetyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)CC1CCCCCC1
InChIInChI=1S/C13H23NO3/c1-14(9-8-13(16)17)12(15)10-11-6-4-2-3-5-7-11/h11H,2-10H2,1H3,(H,16,17)
InChIKeyWPNGLUQCSKZXLI-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.28
Rot. Bonds5

About 3-[(2-cycloheptylacetyl)-methylamino]propanoic acid

3-[(2-cycloheptylacetyl)-methylamino]propanoic acid (PubChem CID 115736297) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[(2-cycloheptylacetyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-cycloheptylacetyl)-methylamino]propanoic acid
PubChem CID115736297
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-[(2-cycloheptylacetyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)CC1CCCCCC1
InChIInChI=1S/C13H23NO3/c1-14(9-8-13(16)17)12(15)10-11-6-4-2-3-5-7-11/h11H,2-10H2,1H3,(H,16,17)
InChIKeyWPNGLUQCSKZXLI-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

N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide
CID 115737510
3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid
CID 82326104
4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid
CID 82326113
5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid
CID 67699840
3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid
CID 82326091
2-cyclopentyl-N-methyl-N-(2-oxoethyl)acetamide
CID 88582522
4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290
3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid
CID 120524978
3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 122002482
3-[(2-cyclopentylacetyl)-(oxan-4-yl)amino]propanoic acid
CID 119212280

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cycloheptylacetyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(2-cycloheptylacetyl)-methylamino]propanoic acid (CID 115736297) is 3-[(2-cycloheptylacetyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(2-cycloheptylacetyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(2-cycloheptylacetyl)-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)CC1CCCCCC1.
What is the InChIKey of 3-[(2-cycloheptylacetyl)-methylamino]propanoic acid?
The InChIKey is WPNGLUQCSKZXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-14(9-8-13(16)17)12(15)10-11-6-4-2-3-5-7-11/h11H,2-10H2,1H3,(H,16,17).
What are the key properties of 3-[(2-cycloheptylacetyl)-methylamino]propanoic acid?
3-[(2-cycloheptylacetyl)-methylamino]propanoic 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 3-[(2-cycloheptylacetyl)-methylamino]propanoic acid is sourced from PubChem (CID 115736297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).