(2S)-2-(3-fluorohexanoylamino)pentanedioic acid

C11H18FNO5 — CID 101278167

IUPAC(2S)-2-(3-fluorohexanoylamino)pentanedioic acid
SMILESCCCC(F)CC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C11H18FNO5/c1-2-3-7(12)6-9(14)13-8(11(17)18)4-5-10(15)16/h7-8H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t7?,8-/m0/s1
InChIKeyWOYYFZQNTHLPDV-MQWKRIRWSA-N
MW263.26 g/mol
LogP0.95
Rot. Bonds9

About (2S)-2-(3-fluorohexanoylamino)pentanedioic acid

(2S)-2-(3-fluorohexanoylamino)pentanedioic acid (PubChem CID 101278167) has the molecular formula C11H18FNO5 and a molecular weight of 263.26 g/mol. Its IUPAC name is (2S)-2-(3-fluorohexanoylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(3-fluorohexanoylamino)pentanedioic acid
PubChem CID101278167
Molecular FormulaC11H18FNO5
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name(2S)-2-(3-fluorohexanoylamino)pentanedioic acid
SMILESCCCC(F)CC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C11H18FNO5/c1-2-3-7(12)6-9(14)13-8(11(17)18)4-5-10(15)16/h7-8H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t7?,8-/m0/s1
InChIKeyWOYYFZQNTHLPDV-MQWKRIRWSA-N
XLogP0.95
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-fluoroheptanoylamino)pentanedioic acid
CID 101278177
(2S)-2-(3-hydroxypentanoylamino)pentanedioic acid
CID 90258666
2-(propanoylamino)pentanedioic acid
CID 10436353
(2S)-2-(1-carboxypentan-2-ylcarbamoylamino)pentanedioic acid
CID 134458676
2-(3-hydroxyoctanoylamino)pentanedioic acid
CID 90258173
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145
(2S)-2-(3-methyldodecanoylamino)pentanedioic acid
CID 90258202
(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845
2-(dodecanoylamino)pentanedioic acid;bis(hexane)
CID 175093348
(2R)-2-(undecanoylamino)pentanedioic acid
CID 11472521
(2S)-2-[[(3S)-3-amino-3-carboxypropanoyl]amino]pentanedioic acid
CID 87795061
N-Myristoyl-L-glutamic acid sodium salt
CID 87532244

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluorohexanoylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(3-fluorohexanoylamino)pentanedioic acid (CID 101278167) is (2S)-2-(3-fluorohexanoylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(3-fluorohexanoylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(3-fluorohexanoylamino)pentanedioic acid is CCCC(F)CC(=O)N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(3-fluorohexanoylamino)pentanedioic acid?
The InChIKey is WOYYFZQNTHLPDV-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H18FNO5/c1-2-3-7(12)6-9(14)13-8(11(17)18)4-5-10(15)16/h7-8H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-(3-fluorohexanoylamino)pentanedioic acid?
(2S)-2-(3-fluorohexanoylamino)pentanedioic acid has a molecular weight of 263.26 g/mol, XLogP of 0.95, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluorohexanoylamino)pentanedioic acid is sourced from PubChem (CID 101278167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).