3-amino-8-(3-chlorophenyl)-4,6-dimethyloctanoic acid

C16H24ClNO2 — CID 69269442

IUPAC3-amino-8-(3-chlorophenyl)-4,6-dimethyloctanoic acid
SMILESCC(CCc1cccc(Cl)c1)CC(C)C(N)CC(=O)O
InChIInChI=1S/C16H24ClNO2/c1-11(8-12(2)15(18)10-16(19)20)6-7-13-4-3-5-14(17)9-13/h3-5,9,11-12,15H,6-8,10,18H2,1-2H3,(H,19,20)
InChIKeySQNHUORXLAGGBP-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.74
Rot. Bonds8

About 3-amino-8-(3-chlorophenyl)-4,6-dimethyloctanoic acid

3-amino-8-(3-chlorophenyl)-4,6-dimethyloctanoic acid (PubChem CID 69269442) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-amino-8-(3-chlorophenyl)-4,6-dimethyloctanoic acid.

Molecular Properties

Compound Name3-amino-8-(3-chlorophenyl)-4,6-dimethyloctanoic acid
PubChem CID69269442
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name3-amino-8-(3-chlorophenyl)-4,6-dimethyloctanoic acid
SMILESCC(CCc1cccc(Cl)c1)CC(C)C(N)CC(=O)O
InChIInChI=1S/C16H24ClNO2/c1-11(8-12(2)15(18)10-16(19)20)6-7-13-4-3-5-14(17)9-13/h3-5,9,11-12,15H,6-8,10,18H2,1-2H3,(H,19,20)
InChIKeySQNHUORXLAGGBP-UHFFFAOYSA-N
XLogP3.74
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 150170631
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CID 57308391
diethyl 2-[2-(3-chlorophenyl)ethyl]propanedioate
CID 14711442
(3S,5R)-3-(aminomethyl)-7-(3-fluorophenyl)-5-methylheptanoic acid
CID 53241288
4-(3-chlorophenyl)-2-ethylbutanoic acid
CID 158851266
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
4-amino-1-(3-chlorophenyl)-5-methylhexan-2-one
CID 116606295
(3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid
CID 53340951
2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119270589
3-amino-4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutanoic acid
CID 64896697
4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
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5-(3-chlorophenyl)-2-ethoxycarbonylpentanoic acid
CID 54177439

Frequently Asked Questions

What is the IUPAC name of 3-amino-8-(3-chlorophenyl)-4,6-dimethyloctanoic acid?
The IUPAC name of 3-amino-8-(3-chlorophenyl)-4,6-dimethyloctanoic acid (CID 69269442) is 3-amino-8-(3-chlorophenyl)-4,6-dimethyloctanoic acid.
What is the SMILES notation for 3-amino-8-(3-chlorophenyl)-4,6-dimethyloctanoic acid?
The canonical SMILES for 3-amino-8-(3-chlorophenyl)-4,6-dimethyloctanoic acid is CC(CCc1cccc(Cl)c1)CC(C)C(N)CC(=O)O.
What is the InChIKey of 3-amino-8-(3-chlorophenyl)-4,6-dimethyloctanoic acid?
The InChIKey is SQNHUORXLAGGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-11(8-12(2)15(18)10-16(19)20)6-7-13-4-3-5-14(17)9-13/h3-5,9,11-12,15H,6-8,10,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-8-(3-chlorophenyl)-4,6-dimethyloctanoic acid?
3-amino-8-(3-chlorophenyl)-4,6-dimethyloctanoic acid has a molecular weight of 297.83 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-(3-chlorophenyl)-4,6-dimethyloctanoic acid is sourced from PubChem (CID 69269442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).