4-amino-3-phenyl-3-propylhexanoic acid

C15H23NO2 — CID 66096089

IUPAC4-amino-3-phenyl-3-propylhexanoic acid
SMILESCCCC(CC(=O)O)(c1ccccc1)C(N)CC
InChIInChI=1S/C15H23NO2/c1-3-10-15(11-14(17)18,13(16)4-2)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3,(H,17,18)
InChIKeyONEZTESWAKBBAW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.94
Rot. Bonds7

About 4-amino-3-phenyl-3-propylhexanoic acid

4-amino-3-phenyl-3-propylhexanoic acid (PubChem CID 66096089) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-amino-3-phenyl-3-propylhexanoic acid.

Molecular Properties

Compound Name4-amino-3-phenyl-3-propylhexanoic acid
PubChem CID66096089
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-amino-3-phenyl-3-propylhexanoic acid
SMILESCCCC(CC(=O)O)(c1ccccc1)C(N)CC
InChIInChI=1S/C15H23NO2/c1-3-10-15(11-14(17)18,13(16)4-2)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3,(H,17,18)
InChIKeyONEZTESWAKBBAW-UHFFFAOYSA-N
XLogP2.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-ethyl-3-phenylhexanoic acid
CID 66096689
methyl 4-amino-3-phenyl-3-propylhexanoate
CID 66097736
4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid
CID 112680317
4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid
CID 66097321
4-amino-3-methyl-3-[3-(trifluoromethyl)phenyl]hexanoic acid
CID 66096075
4-amino-3-phenyl-3-propan-2-ylhexan-1-ol
CID 66090564
3-ethoxycarbonyl-3-phenylpentanoic acid
CID 175261723
4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)hexanoic acid
CID 112586778
4-amino-3-(4-chlorophenyl)-3-ethylpentanoic acid
CID 66097085
2-amino-2-phenylpentan-1-ol
CID 61056433
3-phenylhexan-3-amine
CID 60794511
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-phenyl-3-propylhexanoic acid?
The IUPAC name of 4-amino-3-phenyl-3-propylhexanoic acid (CID 66096089) is 4-amino-3-phenyl-3-propylhexanoic acid.
What is the SMILES notation for 4-amino-3-phenyl-3-propylhexanoic acid?
The canonical SMILES for 4-amino-3-phenyl-3-propylhexanoic acid is CCCC(CC(=O)O)(c1ccccc1)C(N)CC.
What is the InChIKey of 4-amino-3-phenyl-3-propylhexanoic acid?
The InChIKey is ONEZTESWAKBBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-10-15(11-14(17)18,13(16)4-2)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-3-phenyl-3-propylhexanoic acid?
4-amino-3-phenyl-3-propylhexanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-phenyl-3-propylhexanoic acid is sourced from PubChem (CID 66096089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).