(2R)-2-amino-3-fluoropentanedioate

C5H6FNO4-2 — CID 166640231

IUPAC(2R)-2-amino-3-fluoropentanedioate
SMILESN[C@H](C(=O)[O-])C(F)CC(=O)[O-]
InChIInChI=1S/C5H8FNO4/c6-2(1-3(8)9)4(7)5(10)11/h2,4H,1,7H2,(H,8,9)(H,10,11)/p-2/t2?,4-/m0/s1
InChIKeyWUDOIEVYRDRGAN-AOIFVJIMSA-L
MW163.10 g/mol
LogP-3.46
Rot. Bonds4

About (2R)-2-amino-3-fluoropentanedioate

(2R)-2-amino-3-fluoropentanedioate (PubChem CID 166640231) has the molecular formula C5H6FNO4-2 and a molecular weight of 163.10 g/mol. Its IUPAC name is (2R)-2-amino-3-fluoropentanedioate.

Molecular Properties

Compound Name(2R)-2-amino-3-fluoropentanedioate
PubChem CID166640231
Molecular FormulaC5H6FNO4-2
Molecular Weight163.10 g/mol
Exact Mass163.03
IUPAC Name(2R)-2-amino-3-fluoropentanedioate
SMILESN[C@H](C(=O)[O-])C(F)CC(=O)[O-]
InChIInChI=1S/C5H8FNO4/c6-2(1-3(8)9)4(7)5(10)11/h2,4H,1,7H2,(H,8,9)(H,10,11)/p-2/t2?,4-/m0/s1
InChIKeyWUDOIEVYRDRGAN-AOIFVJIMSA-L
XLogP-3.46
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 5-3.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-aminobutanedioate
CID 4519554
CID 21127296
CID 21127296
(2S)-2-aminobutanedioate;silver
CID 87272123
disodium;2-aminobutanedioate
CID 172873588
dicesium;(2S)-2-aminobutanedioate
CID 11639845
3-amino-4-fluorobutanoate
CID 21121473
tris(2-aminobutanedioate);bis(vanadium)
CID 173191601
tris(2-aminobutanedioate);bis(iron(3+))
CID 74401448
disodium;2,3-diaminobutanedioate
CID 87704477
magnesium;2-aminobutanedioate;hydrochloride
CID 13372672
magnesium;dipotassium;bis((2S)-2-aminobutanedioate)
CID 12049086
(2S)-2-aminobutanedioate;manganese(2+);hydrochloride
CID 88636151

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-fluoropentanedioate?
The IUPAC name of (2R)-2-amino-3-fluoropentanedioate (CID 166640231) is (2R)-2-amino-3-fluoropentanedioate.
What is the SMILES notation for (2R)-2-amino-3-fluoropentanedioate?
The canonical SMILES for (2R)-2-amino-3-fluoropentanedioate is N[C@H](C(=O)[O-])C(F)CC(=O)[O-].
What is the InChIKey of (2R)-2-amino-3-fluoropentanedioate?
The InChIKey is WUDOIEVYRDRGAN-AOIFVJIMSA-L. The full InChI is InChI=1S/C5H8FNO4/c6-2(1-3(8)9)4(7)5(10)11/h2,4H,1,7H2,(H,8,9)(H,10,11)/p-2/t2?,4-/m0/s1.
What are the key properties of (2R)-2-amino-3-fluoropentanedioate?
(2R)-2-amino-3-fluoropentanedioate has a molecular weight of 163.10 g/mol, XLogP of -3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-fluoropentanedioate is sourced from PubChem (CID 166640231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).