2-(butanoylamino)-5-fluoro-4-oxopentanoic acid

C9H14FNO4 — CID 141198037

IUPAC2-(butanoylamino)-5-fluoro-4-oxopentanoic acid
SMILESCCCC(=O)NC(CC(=O)CF)C(=O)O
InChIInChI=1S/C9H14FNO4/c1-2-3-8(13)11-7(9(14)15)4-6(12)5-10/h7H,2-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyMOGYZPWDGSANQN-UHFFFAOYSA-N
MW219.21 g/mol
LogP0.28
Rot. Bonds7

About 2-(butanoylamino)-5-fluoro-4-oxopentanoic acid

2-(butanoylamino)-5-fluoro-4-oxopentanoic acid (PubChem CID 141198037) has the molecular formula C9H14FNO4 and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-(butanoylamino)-5-fluoro-4-oxopentanoic acid.

Molecular Properties

Compound Name2-(butanoylamino)-5-fluoro-4-oxopentanoic acid
PubChem CID141198037
Molecular FormulaC9H14FNO4
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-(butanoylamino)-5-fluoro-4-oxopentanoic acid
SMILESCCCC(=O)NC(CC(=O)CF)C(=O)O
InChIInChI=1S/C9H14FNO4/c1-2-3-8(13)11-7(9(14)15)4-6(12)5-10/h7H,2-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyMOGYZPWDGSANQN-UHFFFAOYSA-N
XLogP0.28
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butanoylamino)butanedioic acid;zinc
CID 174973870
sodium;2-(butanoylamino)butanedioic acid;hydride
CID 174974631
tert-butyl 2-(butanoylamino)-5-fluoro-4-oxopentanoate
CID 154512213
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
2-[[4-carboxy-4-[[4-carboxy-4-(propan-2-ylamino)butanoyl]amino]butanoyl]amino]-6-fluoro-5-oxohexanoic acid
CID 176567651
(2R)-2-(hexadecanoylamino)butanedioic acid
CID 14585950
(2S)-2-(butanoylamino)-4-methylselanylbutanoic acid
CID 89313972
2-[[4-carboxy-4-[[4-carboxy-4-(methylamino)butanoyl]amino]butanoyl]amino]-5-oxooctanoic acid
CID 176567888
2-(butanoylamino)-5-oxopentanoic acid
CID 123955857
4-amino-4-oxo-2-(pentanoylamino)butanoic acid
CID 43175996
(2S)-2-(butanoylamino)-5-oxopentanoic acid
CID 174872507
disodium;(2S)-2-(hexanoylamino)butanedioic acid;hydride
CID 174918684

Frequently Asked Questions

What is the IUPAC name of 2-(butanoylamino)-5-fluoro-4-oxopentanoic acid?
The IUPAC name of 2-(butanoylamino)-5-fluoro-4-oxopentanoic acid (CID 141198037) is 2-(butanoylamino)-5-fluoro-4-oxopentanoic acid.
What is the SMILES notation for 2-(butanoylamino)-5-fluoro-4-oxopentanoic acid?
The canonical SMILES for 2-(butanoylamino)-5-fluoro-4-oxopentanoic acid is CCCC(=O)NC(CC(=O)CF)C(=O)O.
What is the InChIKey of 2-(butanoylamino)-5-fluoro-4-oxopentanoic acid?
The InChIKey is MOGYZPWDGSANQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO4/c1-2-3-8(13)11-7(9(14)15)4-6(12)5-10/h7H,2-5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-(butanoylamino)-5-fluoro-4-oxopentanoic acid?
2-(butanoylamino)-5-fluoro-4-oxopentanoic acid has a molecular weight of 219.21 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)-5-fluoro-4-oxopentanoic acid is sourced from PubChem (CID 141198037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).