6-amino-5-methyl-5-phenylhexanoic acid

C13H19NO2 — CID 146308084

IUPAC6-amino-5-methyl-5-phenylhexanoic acid
SMILESCC(CN)(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-13(10-14,9-5-8-12(15)16)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,14H2,1H3,(H,15,16)
InChIKeyRZAISLXYPIBNMJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.16
Rot. Bonds6

About 6-amino-5-methyl-5-phenylhexanoic acid

6-amino-5-methyl-5-phenylhexanoic acid (PubChem CID 146308084) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-amino-5-methyl-5-phenylhexanoic acid.

Molecular Properties

Compound Name6-amino-5-methyl-5-phenylhexanoic acid
PubChem CID146308084
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name6-amino-5-methyl-5-phenylhexanoic acid
SMILESCC(CN)(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-13(10-14,9-5-8-12(15)16)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,14H2,1H3,(H,15,16)
InChIKeyRZAISLXYPIBNMJ-UHFFFAOYSA-N
XLogP2.16
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 6-amino-5-methyl-5-phenylhexanoate
CID 153407915
5-methyl-5,7-diphenylheptanoic acid
CID 148740605
6-oxo-5,5-diphenyloctanoic acid
CID 19981505
5-(4-chlorophenyl)-5-phenylhexanoic acid
CID 70553770
5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid
CID 70464957
1,15-dihydroxy-3,13-dimethyl-3,13-diphenylpentadecan-8-one
CID 23431379
6-amino-5,5-dimethylhexanoic acid;hydrochloride
CID 175554592
phosphane;6,6,6-triphenylhexanoic acid
CID 175595654
octadecanoic acid;2-phenylpropan-2-amine;hydrochloride
CID 175449619
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
7-[(7-hydroxy-4-methyl-4-phenylheptyl)carbamothioylamino]-4-methyl-4-phenylheptanoic acid
CID 11431986
7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid
CID 119227666

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methyl-5-phenylhexanoic acid?
The IUPAC name of 6-amino-5-methyl-5-phenylhexanoic acid (CID 146308084) is 6-amino-5-methyl-5-phenylhexanoic acid.
What is the SMILES notation for 6-amino-5-methyl-5-phenylhexanoic acid?
The canonical SMILES for 6-amino-5-methyl-5-phenylhexanoic acid is CC(CN)(CCCC(=O)O)c1ccccc1.
What is the InChIKey of 6-amino-5-methyl-5-phenylhexanoic acid?
The InChIKey is RZAISLXYPIBNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(10-14,9-5-8-12(15)16)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,14H2,1H3,(H,15,16).
What are the key properties of 6-amino-5-methyl-5-phenylhexanoic acid?
6-amino-5-methyl-5-phenylhexanoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methyl-5-phenylhexanoic acid is sourced from PubChem (CID 146308084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).