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

C15H22FNO2 — CID 151795763

IUPAC3-amino-7-(2-fluorophenyl)-2,5-dimethylheptanoic acid
SMILESCC(CCc1ccccc1F)CC(N)C(C)C(=O)O
InChIInChI=1S/C15H22FNO2/c1-10(9-14(17)11(2)15(18)19)7-8-12-5-3-4-6-13(12)16/h3-6,10-11,14H,7-9,17H2,1-2H3,(H,18,19)
InChIKeyRXOJEBUWMYPUGE-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.83
Rot. Bonds7

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

3-amino-7-(2-fluorophenyl)-2,5-dimethylheptanoic acid (PubChem CID 151795763) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-amino-7-(2-fluorophenyl)-2,5-dimethylheptanoic acid.

Molecular Properties

Compound Name3-amino-7-(2-fluorophenyl)-2,5-dimethylheptanoic acid
PubChem CID151795763
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name3-amino-7-(2-fluorophenyl)-2,5-dimethylheptanoic acid
SMILESCC(CCc1ccccc1F)CC(N)C(C)C(=O)O
InChIInChI=1S/C15H22FNO2/c1-10(9-14(17)11(2)15(18)19)7-8-12-5-3-4-6-13(12)16/h3-6,10-11,14H,7-9,17H2,1-2H3,(H,18,19)
InChIKeyRXOJEBUWMYPUGE-UHFFFAOYSA-N
XLogP2.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-3-amino-7-(4-fluorophenyl)-2,5-dimethylheptanoic acid
CID 150576041
(3S,5S)-3-amino-6-(2-chlorophenyl)-2,5-dimethylhexanoic acid
CID 151733569
3-amino-6-(2-chlorophenyl)-2,5-dimethylhexanoic acid
CID 151733570
4-(2-fluorophenyl)butan-2-ol
CID 12618518
(3S,5R)-3-amino-2,5,8-trimethylnonanoic acid
CID 150609396
N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide
CID 119527902
2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-(2-fluorophenyl)pentanoic acid
CID 155171198
(2S)-2-amino-4-[(2-fluorophenyl)methylsulfanyl]butanoic acid
CID 57255612
2-butan-2-yloxycarbonyl-5-(2-fluorophenyl)pentanoic acid
CID 70551445
(2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid
CID 119367658
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-(2-fluorophenyl)-2,5-dimethylheptanoic acid?
The IUPAC name of 3-amino-7-(2-fluorophenyl)-2,5-dimethylheptanoic acid (CID 151795763) is 3-amino-7-(2-fluorophenyl)-2,5-dimethylheptanoic acid.
What is the SMILES notation for 3-amino-7-(2-fluorophenyl)-2,5-dimethylheptanoic acid?
The canonical SMILES for 3-amino-7-(2-fluorophenyl)-2,5-dimethylheptanoic acid is CC(CCc1ccccc1F)CC(N)C(C)C(=O)O.
What is the InChIKey of 3-amino-7-(2-fluorophenyl)-2,5-dimethylheptanoic acid?
The InChIKey is RXOJEBUWMYPUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-10(9-14(17)11(2)15(18)19)7-8-12-5-3-4-6-13(12)16/h3-6,10-11,14H,7-9,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-7-(2-fluorophenyl)-2,5-dimethylheptanoic acid?
3-amino-7-(2-fluorophenyl)-2,5-dimethylheptanoic acid has a molecular weight of 267.34 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-(2-fluorophenyl)-2,5-dimethylheptanoic acid is sourced from PubChem (CID 151795763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).