2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid

C15H22ClNO2 — CID 150170631

IUPAC2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid
SMILESCC(CCc1cccc(Cl)c1)CCC(C)(N)C(=O)O
InChIInChI=1S/C15H22ClNO2/c1-11(8-9-15(2,17)14(18)19)6-7-12-4-3-5-13(16)10-12/h3-5,10-11H,6-9,17H2,1-2H3,(H,18,19)
InChIKeyFJIZRERFHSGKND-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.49
Rot. Bonds7

About 2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid

2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid (PubChem CID 150170631) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid.

Molecular Properties

Compound Name2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid
PubChem CID150170631
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid
SMILESCC(CCc1cccc(Cl)c1)CCC(C)(N)C(=O)O
InChIInChI=1S/C15H22ClNO2/c1-11(8-9-15(2,17)14(18)19)6-7-12-4-3-5-13(16)10-12/h3-5,10-11H,6-9,17H2,1-2H3,(H,18,19)
InChIKeyFJIZRERFHSGKND-UHFFFAOYSA-N
XLogP3.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid?
The IUPAC name of 2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid (CID 150170631) is 2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid.
What is the SMILES notation for 2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid?
The canonical SMILES for 2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid is CC(CCc1cccc(Cl)c1)CCC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid?
The InChIKey is FJIZRERFHSGKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11(8-9-15(2,17)14(18)19)6-7-12-4-3-5-13(16)10-12/h3-5,10-11H,6-9,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid?
2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid has a molecular weight of 283.80 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid is sourced from PubChem (CID 150170631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).