(2S)-2-acetamido-4-fluoropentanedioic acid

C7H10FNO5 — CID 139719254

IUPAC(2S)-2-acetamido-4-fluoropentanedioic acid
SMILESCC(=O)N[C@@H](CC(F)C(=O)O)C(=O)O
InChIInChI=1S/C7H10FNO5/c1-3(10)9-5(7(13)14)2-4(8)6(11)12/h4-5H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4?,5-/m0/s1
InChIKeyCBJRCPSYDUROPL-AKGZTFGVSA-N
MW207.16 g/mol
LogP-0.61
Rot. Bonds5

About (2S)-2-acetamido-4-fluoropentanedioic acid

(2S)-2-acetamido-4-fluoropentanedioic acid (PubChem CID 139719254) has the molecular formula C7H10FNO5 and a molecular weight of 207.16 g/mol. Its IUPAC name is (2S)-2-acetamido-4-fluoropentanedioic acid.

Molecular Properties

Compound Name(2S)-2-acetamido-4-fluoropentanedioic acid
PubChem CID139719254
Molecular FormulaC7H10FNO5
Molecular Weight207.16 g/mol
Exact Mass207.05
IUPAC Name(2S)-2-acetamido-4-fluoropentanedioic acid
SMILESCC(=O)N[C@@H](CC(F)C(=O)O)C(=O)O
InChIInChI=1S/C7H10FNO5/c1-3(10)9-5(7(13)14)2-4(8)6(11)12/h4-5H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4?,5-/m0/s1
InChIKeyCBJRCPSYDUROPL-AKGZTFGVSA-N
XLogP-0.61
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
2-acetamido-3-(difluoromethoxy)propanoic acid
CID 76559628
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
2-acetamido-3-(difluoromethylsulfinyl)propanoic acid
CID 107768785
(2S)-2-acetamido-3-[[(2S)-2-acetamido-2-carboxyethyl]disulfanyl]propanoic acid
CID 11461484
2-acetamidobutanoic acid;ethane;methanol
CID 143023346
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897
lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride
CID 175290404
(2S)-2-acetamido-3-hydroxysulfanylpropanoic acid
CID 177062913
(2R)-2-acetamidopentanedioic acid
CID 161394708

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-4-fluoropentanedioic acid?
The IUPAC name of (2S)-2-acetamido-4-fluoropentanedioic acid (CID 139719254) is (2S)-2-acetamido-4-fluoropentanedioic acid.
What is the SMILES notation for (2S)-2-acetamido-4-fluoropentanedioic acid?
The canonical SMILES for (2S)-2-acetamido-4-fluoropentanedioic acid is CC(=O)N[C@@H](CC(F)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-acetamido-4-fluoropentanedioic acid?
The InChIKey is CBJRCPSYDUROPL-AKGZTFGVSA-N. The full InChI is InChI=1S/C7H10FNO5/c1-3(10)9-5(7(13)14)2-4(8)6(11)12/h4-5H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4?,5-/m0/s1.
What are the key properties of (2S)-2-acetamido-4-fluoropentanedioic acid?
(2S)-2-acetamido-4-fluoropentanedioic acid has a molecular weight of 207.16 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-4-fluoropentanedioic acid is sourced from PubChem (CID 139719254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).