(4R)-4-amino-5,5-difluoropentanoic acid

C5H9F2NO2 — CID 51901753

IUPAC(4R)-4-amino-5,5-difluoropentanoic acid
SMILESN[C@H](CCC(=O)O)C(F)F
InChIInChI=1S/C5H9F2NO2/c6-5(7)3(8)1-2-4(9)10/h3,5H,1-2,8H2,(H,9,10)/t3-/m1/s1
InChIKeyOONKUSOSFMPOHE-GSVOUGTGSA-N
MW153.13 g/mol
LogP0.44
Rot. Bonds4

About (4R)-4-amino-5,5-difluoropentanoic acid

(4R)-4-amino-5,5-difluoropentanoic acid (PubChem CID 51901753) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is (4R)-4-amino-5,5-difluoropentanoic acid.

Molecular Properties

Compound Name(4R)-4-amino-5,5-difluoropentanoic acid
PubChem CID51901753
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Name(4R)-4-amino-5,5-difluoropentanoic acid
SMILESN[C@H](CCC(=O)O)C(F)F
InChIInChI=1S/C5H9F2NO2/c6-5(7)3(8)1-2-4(9)10/h3,5H,1-2,8H2,(H,9,10)/t3-/m1/s1
InChIKeyOONKUSOSFMPOHE-GSVOUGTGSA-N
XLogP0.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-5-fluorohexanoic acid
CID 78098113
4-amino-4-fluorobutanoic acid
CID 20508342
(2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid
CID 91155039
4-amino-5-hydroxy-6-methylheptanoic acid
CID 91339915
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
4-amino-4-hydroxybutanoic acid;palladium
CID 87204989
2-aminopentanedioic acid
CID 611
2-amino-5-(18F)fluorooctanedioic acid
CID 89447645
(4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride
CID 55254083
butanedioic acid;fluoroform
CID 159416748
(4S)-4,5-diamino-5-oxopentanoic acid
CID 22802675
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5,5-difluoropentanoic acid?
The IUPAC name of (4R)-4-amino-5,5-difluoropentanoic acid (CID 51901753) is (4R)-4-amino-5,5-difluoropentanoic acid.
What is the SMILES notation for (4R)-4-amino-5,5-difluoropentanoic acid?
The canonical SMILES for (4R)-4-amino-5,5-difluoropentanoic acid is N[C@H](CCC(=O)O)C(F)F.
What is the InChIKey of (4R)-4-amino-5,5-difluoropentanoic acid?
The InChIKey is OONKUSOSFMPOHE-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H9F2NO2/c6-5(7)3(8)1-2-4(9)10/h3,5H,1-2,8H2,(H,9,10)/t3-/m1/s1.
What are the key properties of (4R)-4-amino-5,5-difluoropentanoic acid?
(4R)-4-amino-5,5-difluoropentanoic acid has a molecular weight of 153.13 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-5,5-difluoropentanoic acid is sourced from PubChem (CID 51901753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).