4-amino-3-(2-cyclopropylphenyl)hexanoic acid

C15H21NO2 — CID 79982337

IUPAC4-amino-3-(2-cyclopropylphenyl)hexanoic acid
SMILESCCC(N)C(CC(=O)O)c1ccccc1C1CC1
InChIInChI=1S/C15H21NO2/c1-2-14(16)13(9-15(17)18)12-6-4-3-5-11(12)10-7-8-10/h3-6,10,13-14H,2,7-9,16H2,1H3,(H,17,18)
InChIKeyDBYFWASIPXGYPA-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.86
Rot. Bonds6

About 4-amino-3-(2-cyclopropylphenyl)hexanoic acid

4-amino-3-(2-cyclopropylphenyl)hexanoic acid (PubChem CID 79982337) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-amino-3-(2-cyclopropylphenyl)hexanoic acid.

Molecular Properties

Compound Name4-amino-3-(2-cyclopropylphenyl)hexanoic acid
PubChem CID79982337
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-amino-3-(2-cyclopropylphenyl)hexanoic acid
SMILESCCC(N)C(CC(=O)O)c1ccccc1C1CC1
InChIInChI=1S/C15H21NO2/c1-2-14(16)13(9-15(17)18)12-6-4-3-5-11(12)10-7-8-10/h3-6,10,13-14H,2,7-9,16H2,1H3,(H,17,18)
InChIKeyDBYFWASIPXGYPA-UHFFFAOYSA-N
XLogP2.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-cyclopropylphenyl)hexanoic acid?
The IUPAC name of 4-amino-3-(2-cyclopropylphenyl)hexanoic acid (CID 79982337) is 4-amino-3-(2-cyclopropylphenyl)hexanoic acid.
What is the SMILES notation for 4-amino-3-(2-cyclopropylphenyl)hexanoic acid?
The canonical SMILES for 4-amino-3-(2-cyclopropylphenyl)hexanoic acid is CCC(N)C(CC(=O)O)c1ccccc1C1CC1.
What is the InChIKey of 4-amino-3-(2-cyclopropylphenyl)hexanoic acid?
The InChIKey is DBYFWASIPXGYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-14(16)13(9-15(17)18)12-6-4-3-5-11(12)10-7-8-10/h3-6,10,13-14H,2,7-9,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-3-(2-cyclopropylphenyl)hexanoic acid?
4-amino-3-(2-cyclopropylphenyl)hexanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-cyclopropylphenyl)hexanoic acid is sourced from PubChem (CID 79982337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).