(2R)-2-amino-3,3-difluoropentanedioic acid

C5H7F2NO4 — CID 21120526

IUPAC(2R)-2-amino-3,3-difluoropentanedioic acid
SMILESN[C@H](C(=O)O)C(F)(F)CC(=O)O
InChIInChI=1S/C5H7F2NO4/c6-5(7,1-2(9)10)3(8)4(11)12/h3H,1,8H2,(H,9,10)(H,11,12)/t3-/m1/s1
InChIKeyHJJKSOSDUQANSX-GSVOUGTGSA-N
MW183.11 g/mol
LogP-0.49
Rot. Bonds4

About (2R)-2-amino-3,3-difluoropentanedioic acid

(2R)-2-amino-3,3-difluoropentanedioic acid (PubChem CID 21120526) has the molecular formula C5H7F2NO4 and a molecular weight of 183.11 g/mol. Its IUPAC name is (2R)-2-amino-3,3-difluoropentanedioic acid.

Molecular Properties

Compound Name(2R)-2-amino-3,3-difluoropentanedioic acid
PubChem CID21120526
Molecular FormulaC5H7F2NO4
Molecular Weight183.11 g/mol
Exact Mass183.03
IUPAC Name(2R)-2-amino-3,3-difluoropentanedioic acid
SMILESN[C@H](C(=O)O)C(F)(F)CC(=O)O
InChIInChI=1S/C5H7F2NO4/c6-5(7,1-2(9)10)3(8)4(11)12/h3H,1,8H2,(H,9,10)(H,11,12)/t3-/m1/s1
InChIKeyHJJKSOSDUQANSX-GSVOUGTGSA-N
XLogP-0.49
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.11
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3,3-dihydroxypentanedioic acid
CID 87266041
3,3,4,4-tetrafluorobutanoic acid
CID 29005286
2-amino-3-fluoro-3-hydroxyhexanedioic acid
CID 140720905
sodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride
CID 173286235
4,4,5,5,5-pentafluoro-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pentanoic acid
CID 13147761
(1S)-1-aminopropane-1,2,3-tricarboxylic acid
CID 20605454
(2S)-2-amino-3,3-dibutylheptanoic acid
CID 141318233
(2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid
CID 129061051
(2S)-2-amino-3,3-dihydroxybutanoic acid
CID 144692818
3,3,4,4-tetrafluoro-4-hydroxybutanoic acid
CID 174998564
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
CID 139080677
(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid
CID 7128426

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-difluoropentanedioic acid?
The IUPAC name of (2R)-2-amino-3,3-difluoropentanedioic acid (CID 21120526) is (2R)-2-amino-3,3-difluoropentanedioic acid.
What is the SMILES notation for (2R)-2-amino-3,3-difluoropentanedioic acid?
The canonical SMILES for (2R)-2-amino-3,3-difluoropentanedioic acid is N[C@H](C(=O)O)C(F)(F)CC(=O)O.
What is the InChIKey of (2R)-2-amino-3,3-difluoropentanedioic acid?
The InChIKey is HJJKSOSDUQANSX-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H7F2NO4/c6-5(7,1-2(9)10)3(8)4(11)12/h3H,1,8H2,(H,9,10)(H,11,12)/t3-/m1/s1.
What are the key properties of (2R)-2-amino-3,3-difluoropentanedioic acid?
(2R)-2-amino-3,3-difluoropentanedioic acid has a molecular weight of 183.11 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-difluoropentanedioic acid is sourced from PubChem (CID 21120526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).