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

C5H9F2NO2 — CID 51901751

IUPAC(4S)-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-/m0/s1
InChIKeyOONKUSOSFMPOHE-VKHMYHEASA-N
MW153.13 g/mol
LogP0.44
Rot. Bonds4

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

(4S)-4-amino-5,5-difluoropentanoic acid (PubChem CID 51901751) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is (4S)-4-amino-5,5-difluoropentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5,5-difluoropentanoic acid
PubChem CID51901751
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Name(4S)-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-/m0/s1
InChIKeyOONKUSOSFMPOHE-VKHMYHEASA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5,5-difluoropentanoic acid?
The IUPAC name of (4S)-4-amino-5,5-difluoropentanoic acid (CID 51901751) is (4S)-4-amino-5,5-difluoropentanoic acid.
What is the SMILES notation for (4S)-4-amino-5,5-difluoropentanoic acid?
The canonical SMILES for (4S)-4-amino-5,5-difluoropentanoic acid is N[C@@H](CCC(=O)O)C(F)F.
What is the InChIKey of (4S)-4-amino-5,5-difluoropentanoic acid?
The InChIKey is OONKUSOSFMPOHE-VKHMYHEASA-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-/m0/s1.
What are the key properties of (4S)-4-amino-5,5-difluoropentanoic acid?
(4S)-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 (4S)-4-amino-5,5-difluoropentanoic acid is sourced from PubChem (CID 51901751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).