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

C12H20FNO5 — CID 101278177

IUPAC(2S)-2-(3-fluoroheptanoylamino)pentanedioic acid
SMILESCCCCC(F)CC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C12H20FNO5/c1-2-3-4-8(13)7-10(15)14-9(12(18)19)5-6-11(16)17/h8-9H,2-7H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t8?,9-/m0/s1
InChIKeySUDLQRITSQKAIM-GKAPJAKFSA-N
MW277.29 g/mol
LogP1.34
Rot. Bonds10

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

(2S)-2-(3-fluoroheptanoylamino)pentanedioic acid (PubChem CID 101278177) has the molecular formula C12H20FNO5 and a molecular weight of 277.29 g/mol. Its IUPAC name is (2S)-2-(3-fluoroheptanoylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(3-fluoroheptanoylamino)pentanedioic acid
PubChem CID101278177
Molecular FormulaC12H20FNO5
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name(2S)-2-(3-fluoroheptanoylamino)pentanedioic acid
SMILESCCCCC(F)CC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C12H20FNO5/c1-2-3-4-8(13)7-10(15)14-9(12(18)19)5-6-11(16)17/h8-9H,2-7H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t8?,9-/m0/s1
InChIKeySUDLQRITSQKAIM-GKAPJAKFSA-N
XLogP1.34
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(3-fluoroheptanoylamino)pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(3-fluorohexanoylamino)pentanedioic acid
CID 101278167
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145
2-(3-hydroxyoctanoylamino)pentanedioic acid
CID 90258173
(2S)-2-(3-hydroxypentanoylamino)pentanedioic acid
CID 90258666
(2R)-2-(undecanoylamino)pentanedioic acid
CID 11472521
(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845
2-(dodecanoylamino)pentanedioic acid;bis(hexane)
CID 175093348
(2S)-2-(3-methyldodecanoylamino)pentanedioic acid
CID 90258202
2-(propanoylamino)pentanedioic acid
CID 10436353
N-Myristoyl-L-glutamic acid sodium salt
CID 87532244
azane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173170599
alumane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173075186

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluoroheptanoylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(3-fluoroheptanoylamino)pentanedioic acid (CID 101278177) is (2S)-2-(3-fluoroheptanoylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(3-fluoroheptanoylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(3-fluoroheptanoylamino)pentanedioic acid is CCCCC(F)CC(=O)N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(3-fluoroheptanoylamino)pentanedioic acid?
The InChIKey is SUDLQRITSQKAIM-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H20FNO5/c1-2-3-4-8(13)7-10(15)14-9(12(18)19)5-6-11(16)17/h8-9H,2-7H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-(3-fluoroheptanoylamino)pentanedioic acid?
(2S)-2-(3-fluoroheptanoylamino)pentanedioic acid has a molecular weight of 277.29 g/mol, XLogP of 1.34, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluoroheptanoylamino)pentanedioic acid is sourced from PubChem (CID 101278177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).