4-amino-3-(3,4-difluorophenyl)pentanoic acid

C11H13F2NO2 — CID 66097703

IUPAC4-amino-3-(3,4-difluorophenyl)pentanoic acid
SMILESCC(N)C(CC(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2/c1-6(14)8(5-11(15)16)7-2-3-9(12)10(13)4-7/h2-4,6,8H,5,14H2,1H3,(H,15,16)
InChIKeyOFHWQSNWRPJHIA-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.87
Rot. Bonds4

About 4-amino-3-(3,4-difluorophenyl)pentanoic acid

4-amino-3-(3,4-difluorophenyl)pentanoic acid (PubChem CID 66097703) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 4-amino-3-(3,4-difluorophenyl)pentanoic acid.

Molecular Properties

Compound Name4-amino-3-(3,4-difluorophenyl)pentanoic acid
PubChem CID66097703
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name4-amino-3-(3,4-difluorophenyl)pentanoic acid
SMILESCC(N)C(CC(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2/c1-6(14)8(5-11(15)16)7-2-3-9(12)10(13)4-7/h2-4,6,8H,5,14H2,1H3,(H,15,16)
InChIKeyOFHWQSNWRPJHIA-UHFFFAOYSA-N
XLogP1.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-[3-(difluoromethyl)phenyl]pentanoic acid
CID 115529886
(3S)-3-(4-fluoro-3-methylphenyl)-4-methylpentanoic acid
CID 42073479
5-(3,4-difluorophenyl)-6-methylheptanoic acid
CID 112512690
4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 66099186
3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid
CID 65236492
4-amino-3-(3-chloro-4-methoxyphenyl)pentanoic acid
CID 66098134
4-amino-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanoic acid
CID 66097078
4-amino-3-(4-cyclopropylphenyl)pentanoic acid
CID 79978502
ethyl (3S)-3-amino-3-(3,4-difluorophenyl)propanoate;hydrochloride
CID 171229658
4-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]pentanoic acid
CID 113292119
3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid
CID 18526009
3-[5-(difluoromethyl)-2-fluorophenyl]butanoic acid
CID 84695361

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,4-difluorophenyl)pentanoic acid?
The IUPAC name of 4-amino-3-(3,4-difluorophenyl)pentanoic acid (CID 66097703) is 4-amino-3-(3,4-difluorophenyl)pentanoic acid.
What is the SMILES notation for 4-amino-3-(3,4-difluorophenyl)pentanoic acid?
The canonical SMILES for 4-amino-3-(3,4-difluorophenyl)pentanoic acid is CC(N)C(CC(=O)O)c1ccc(F)c(F)c1.
What is the InChIKey of 4-amino-3-(3,4-difluorophenyl)pentanoic acid?
The InChIKey is OFHWQSNWRPJHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-6(14)8(5-11(15)16)7-2-3-9(12)10(13)4-7/h2-4,6,8H,5,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-3-(3,4-difluorophenyl)pentanoic acid?
4-amino-3-(3,4-difluorophenyl)pentanoic acid has a molecular weight of 229.23 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3,4-difluorophenyl)pentanoic acid is sourced from PubChem (CID 66097703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).