3-[cycloheptyl(1-phenylethyl)amino]propanoic acid

C18H27NO2 — CID 82328438

IUPAC3-[cycloheptyl(1-phenylethyl)amino]propanoic acid
SMILESCC(c1ccccc1)N(CCC(=O)O)C1CCCCCC1
InChIInChI=1S/C18H27NO2/c1-15(16-9-5-4-6-10-16)19(14-13-18(20)21)17-11-7-2-3-8-12-17/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,21)
InChIKeySLUGMJOORARMJT-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.25
Rot. Bonds6

About 3-[cycloheptyl(1-phenylethyl)amino]propanoic acid

3-[cycloheptyl(1-phenylethyl)amino]propanoic acid (PubChem CID 82328438) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[cycloheptyl(1-phenylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cycloheptyl(1-phenylethyl)amino]propanoic acid
PubChem CID82328438
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-[cycloheptyl(1-phenylethyl)amino]propanoic acid
SMILESCC(c1ccccc1)N(CCC(=O)O)C1CCCCCC1
InChIInChI=1S/C18H27NO2/c1-15(16-9-5-4-6-10-16)19(14-13-18(20)21)17-11-7-2-3-8-12-17/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,21)
InChIKeySLUGMJOORARMJT-UHFFFAOYSA-N
XLogP4.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cycloheptyl(1-phenylethyl)amino]propanoic acid?
The IUPAC name of 3-[cycloheptyl(1-phenylethyl)amino]propanoic acid (CID 82328438) is 3-[cycloheptyl(1-phenylethyl)amino]propanoic acid.
What is the SMILES notation for 3-[cycloheptyl(1-phenylethyl)amino]propanoic acid?
The canonical SMILES for 3-[cycloheptyl(1-phenylethyl)amino]propanoic acid is CC(c1ccccc1)N(CCC(=O)O)C1CCCCCC1.
What is the InChIKey of 3-[cycloheptyl(1-phenylethyl)amino]propanoic acid?
The InChIKey is SLUGMJOORARMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-15(16-9-5-4-6-10-16)19(14-13-18(20)21)17-11-7-2-3-8-12-17/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,21).
What are the key properties of 3-[cycloheptyl(1-phenylethyl)amino]propanoic acid?
3-[cycloheptyl(1-phenylethyl)amino]propanoic acid has a molecular weight of 289.42 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cycloheptyl(1-phenylethyl)amino]propanoic acid is sourced from PubChem (CID 82328438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).