sodium 2-[4-fluorohexanoyl(methyl)amino]acetate

C9H15FNNaO3 — CID 101279683

IUPACsodium 2-[4-fluorohexanoyl(methyl)amino]acetate
SMILESCCC(F)CCC(=O)N(C)CC(=O)[O-].[Na+]
InChIInChI=1S/C9H16FNO3.Na/c1-3-7(10)4-5-8(12)11(2)6-9(13)14;/h7H,3-6H2,1-2H3,(H,13,14);/q;+1/p-1
InChIKeyZUHBHTZWKVWTOV-UHFFFAOYSA-M
MW227.21 g/mol
LogP-3.27
Rot. Bonds6

About sodium 2-[4-fluorohexanoyl(methyl)amino]acetate

sodium 2-[4-fluorohexanoyl(methyl)amino]acetate (PubChem CID 101279683) has the molecular formula C9H15FNNaO3 and a molecular weight of 227.21 g/mol. Its IUPAC name is sodium 2-[4-fluorohexanoyl(methyl)amino]acetate.

Molecular Properties

Compound Namesodium 2-[4-fluorohexanoyl(methyl)amino]acetate
PubChem CID101279683
Molecular FormulaC9H15FNNaO3
Molecular Weight227.21 g/mol
Exact Mass227.09
IUPAC Namesodium 2-[4-fluorohexanoyl(methyl)amino]acetate
SMILESCCC(F)CCC(=O)N(C)CC(=O)[O-].[Na+]
InChIInChI=1S/C9H16FNO3.Na/c1-3-7(10)4-5-8(12)11(2)6-9(13)14;/h7H,3-6H2,1-2H3,(H,13,14);/q;+1/p-1
InChIKeyZUHBHTZWKVWTOV-UHFFFAOYSA-M
XLogP-3.27
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 5-3.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-[methyl(16-methylheptadecanoyl)amino]acetate
CID 166060190
2-[4-fluorooctanoyl(methyl)amino]acetic acid
CID 101279750
calcium bis(2-[methyl(tetradecanoyl)amino]acetate)
CID 168911681
disodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate
CID 172550095
sodium 4-fluoroheptanoate
CID 101279242
2-[(2-azaniumylacetyl)-methylamino]acetate
CID 6995175
lithium 2-[methyl(oct-7-enoyl)amino]acetate
CID 102117359
chromium(3+);tris(2-[methyl-[(Z)-octadec-9-enoyl]amino]acetate)
CID 173332021
sodium 2-(dimethylamino)acetate
CID 23695761
sodium 2-[methyl-[(E)-oct-3-enoyl]amino]acetate
CID 102117313
sodium 5-fluorononanoate
CID 101279287
N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide
CID 79200969

Frequently Asked Questions

What is the IUPAC name of sodium 2-[4-fluorohexanoyl(methyl)amino]acetate?
The IUPAC name of sodium 2-[4-fluorohexanoyl(methyl)amino]acetate (CID 101279683) is sodium 2-[4-fluorohexanoyl(methyl)amino]acetate.
What is the SMILES notation for sodium 2-[4-fluorohexanoyl(methyl)amino]acetate?
The canonical SMILES for sodium 2-[4-fluorohexanoyl(methyl)amino]acetate is CCC(F)CCC(=O)N(C)CC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-[4-fluorohexanoyl(methyl)amino]acetate?
The InChIKey is ZUHBHTZWKVWTOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H16FNO3.Na/c1-3-7(10)4-5-8(12)11(2)6-9(13)14;/h7H,3-6H2,1-2H3,(H,13,14);/q;+1/p-1.
What are the key properties of sodium 2-[4-fluorohexanoyl(methyl)amino]acetate?
sodium 2-[4-fluorohexanoyl(methyl)amino]acetate has a molecular weight of 227.21 g/mol, XLogP of -3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[4-fluorohexanoyl(methyl)amino]acetate is sourced from PubChem (CID 101279683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).