(5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid

C11H13F2NO2 — CID 28931114

IUPAC(5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid
SMILESN[C@@H](CCCC(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO2/c12-7-4-5-8(9(13)6-7)10(14)2-1-3-11(15)16/h4-6,10H,1-3,14H2,(H,15,16)/t10-/m0/s1
InChIKeyVHQRJHHFKLWGGP-JTQLQIEISA-N
MW229.23 g/mol
LogP2.22
Rot. Bonds5

About (5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid

(5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid (PubChem CID 28931114) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is (5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid.

Molecular Properties

Compound Name(5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid
PubChem CID28931114
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name(5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid
SMILESN[C@@H](CCCC(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO2/c12-7-4-5-8(9(13)6-7)10(14)2-1-3-11(15)16/h4-6,10H,1-3,14H2,(H,15,16)/t10-/m0/s1
InChIKeyVHQRJHHFKLWGGP-JTQLQIEISA-N
XLogP2.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-amino-5-(2,4-difluorophenyl)pentanoate
CID 54927803
5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid
CID 43561605
(5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid
CID 28931216
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
CID 126963755
4-amino-4-(4-bromo-2-fluorophenyl)butanoic acid
CID 84714295
4-amino-4-(2-chloro-4-fluorophenyl)butanoic acid
CID 84695091
(1R)-1-(2,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171199026
5-(2,5-difluorophenyl)-5-hydroxypentanoic acid
CID 43117843
5-amino-5-(2,5-dichlorophenyl)pentanoic acid
CID 43344691
(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171199037
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid?
The IUPAC name of (5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid (CID 28931114) is (5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid.
What is the SMILES notation for (5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid?
The canonical SMILES for (5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid is N[C@@H](CCCC(=O)O)c1ccc(F)cc1F.
What is the InChIKey of (5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid?
The InChIKey is VHQRJHHFKLWGGP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13F2NO2/c12-7-4-5-8(9(13)6-7)10(14)2-1-3-11(15)16/h4-6,10H,1-3,14H2,(H,15,16)/t10-/m0/s1.
What are the key properties of (5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid?
(5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid has a molecular weight of 229.23 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid is sourced from PubChem (CID 28931114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).