5-fluoro-3-(1-methoxyethylamino)-4-oxopentanoic acid

C8H14FNO4 — CID 142088460

IUPAC5-fluoro-3-(1-methoxyethylamino)-4-oxopentanoic acid
SMILESCOC(C)NC(CC(=O)O)C(=O)CF
InChIInChI=1S/C8H14FNO4/c1-5(14-2)10-6(3-8(12)13)7(11)4-9/h5-6,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyRKVJEZJCMGELNS-UHFFFAOYSA-N
MW207.20 g/mol
LogP-0.05
Rot. Bonds7

About 5-fluoro-3-(1-methoxyethylamino)-4-oxopentanoic acid

5-fluoro-3-(1-methoxyethylamino)-4-oxopentanoic acid (PubChem CID 142088460) has the molecular formula C8H14FNO4 and a molecular weight of 207.20 g/mol. Its IUPAC name is 5-fluoro-3-(1-methoxyethylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name5-fluoro-3-(1-methoxyethylamino)-4-oxopentanoic acid
PubChem CID142088460
Molecular FormulaC8H14FNO4
Molecular Weight207.20 g/mol
Exact Mass207.09
IUPAC Name5-fluoro-3-(1-methoxyethylamino)-4-oxopentanoic acid
SMILESCOC(C)NC(CC(=O)O)C(=O)CF
InChIInChI=1S/C8H14FNO4/c1-5(14-2)10-6(3-8(12)13)7(11)4-9/h5-6,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyRKVJEZJCMGELNS-UHFFFAOYSA-N
XLogP-0.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-Fluoro-3-(methylamino)-4-oxopentanoic acid
CID 21137008
Methyl 5-fluoro-3-(methylamino)-4-oxopentanoate
CID 117982700
Methyl 3-(butoxycarbonylamino)-5-fluoro-4-oxopentanoate
CID 9899952
2-(2-Carboxyethylamino)-4-oxopentanoic acid
CID 59927925
3-(Cyclopropylamino)-4-oxopentanoic acid
CID 59945889
(3S)-4-oxo-3-(propylamino)pentanoic acid
CID 60014472
Ethyl 3-(3-hydroxypropylamino)-4-oxopentanoate
CID 82322135
Ethyl 3-(methylamino)-4-oxopentanoate
CID 82322176
4-Oxo-3-(propan-2-ylamino)pentanoic acid
CID 82322644
3-(Ethylamino)-4-oxopentanoic acid
CID 82322646
2-[(1-Carboxy-3-oxobutan-2-yl)amino]butanedioic acid
CID 89359817
(3S)-3-(ethylamino)-4-oxopentanoic acid
CID 89574696

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1-methoxyethylamino)-4-oxopentanoic acid?
The IUPAC name of 5-fluoro-3-(1-methoxyethylamino)-4-oxopentanoic acid (CID 142088460) is 5-fluoro-3-(1-methoxyethylamino)-4-oxopentanoic acid.
What is the SMILES notation for 5-fluoro-3-(1-methoxyethylamino)-4-oxopentanoic acid?
The canonical SMILES for 5-fluoro-3-(1-methoxyethylamino)-4-oxopentanoic acid is COC(C)NC(CC(=O)O)C(=O)CF.
What is the InChIKey of 5-fluoro-3-(1-methoxyethylamino)-4-oxopentanoic acid?
The InChIKey is RKVJEZJCMGELNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO4/c1-5(14-2)10-6(3-8(12)13)7(11)4-9/h5-6,10H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 5-fluoro-3-(1-methoxyethylamino)-4-oxopentanoic acid?
5-fluoro-3-(1-methoxyethylamino)-4-oxopentanoic acid has a molecular weight of 207.20 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1-methoxyethylamino)-4-oxopentanoic acid is sourced from PubChem (CID 142088460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).