2-amino-4-(2-(18F)fluoroethoxy)pentanedioic acid

C7H12FNO5 — CID 24984972

IUPAC2-amino-4-(2-(18F)fluoroethoxy)pentanedioic acid
SMILESNC(CC(OCC[18F])C(=O)O)C(=O)O
InChIInChI=1S/C7H12FNO5/c8-1-2-14-5(7(12)13)3-4(9)6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)/i8-1
InChIKeyRVEXYIBGDSOLKL-COJKEBBMSA-N
MW208.18 g/mol
LogP-0.77
Rot. Bonds7

About 2-amino-4-(2-(18F)fluoroethoxy)pentanedioic acid

2-amino-4-(2-(18F)fluoroethoxy)pentanedioic acid (PubChem CID 24984972) has the molecular formula C7H12FNO5 and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-amino-4-(2-(18F)fluoroethoxy)pentanedioic acid.

Molecular Properties

Compound Name2-amino-4-(2-(18F)fluoroethoxy)pentanedioic acid
PubChem CID24984972
Molecular FormulaC7H12FNO5
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name2-amino-4-(2-(18F)fluoroethoxy)pentanedioic acid
SMILESNC(CC(OCC[18F])C(=O)O)C(=O)O
InChIInChI=1S/C7H12FNO5/c8-1-2-14-5(7(12)13)3-4(9)6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)/i8-1
InChIKeyRVEXYIBGDSOLKL-COJKEBBMSA-N
XLogP-0.77
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-diamino-4-(3-fluoropropoxy)-5-oxopentanoic acid
CID 58185194
2-amino-4-(3-fluorosulfanylpropoxy)pentanedioic acid
CID 143663946
(2S)-4-amino-2-(2-(18F)fluoroethoxy)-5-oxohexanamide
CID 58331122
(2S)-2-amino-4-formyloxypentanedioic acid
CID 176766675
(2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid
CID 46207589
(2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid
CID 15227560
2-(2-fluoroethoxy)propanoic acid
CID 84648269
2,4,6-triaminoheptanedioic acid
CID 71362819
(2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride
CID 87593555
(2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid
CID 88947507
(2R)-2-amino-4-propoxypentanoic acid
CID 89091737
(2R,4R)-2-amino-4-fluoropentanoic acid
CID 55283897

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-(18F)fluoroethoxy)pentanedioic acid?
The IUPAC name of 2-amino-4-(2-(18F)fluoroethoxy)pentanedioic acid (CID 24984972) is 2-amino-4-(2-(18F)fluoroethoxy)pentanedioic acid.
What is the SMILES notation for 2-amino-4-(2-(18F)fluoroethoxy)pentanedioic acid?
The canonical SMILES for 2-amino-4-(2-(18F)fluoroethoxy)pentanedioic acid is NC(CC(OCC[18F])C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-4-(2-(18F)fluoroethoxy)pentanedioic acid?
The InChIKey is RVEXYIBGDSOLKL-COJKEBBMSA-N. The full InChI is InChI=1S/C7H12FNO5/c8-1-2-14-5(7(12)13)3-4(9)6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)/i8-1.
What are the key properties of 2-amino-4-(2-(18F)fluoroethoxy)pentanedioic acid?
2-amino-4-(2-(18F)fluoroethoxy)pentanedioic acid has a molecular weight of 208.18 g/mol, XLogP of -0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-(18F)fluoroethoxy)pentanedioic acid is sourced from PubChem (CID 24984972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).