5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid

C10H16F4N2O4 — CID 106295178

IUPAC5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid
SMILESCOCCCC(NC(=O)NCC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C10H16F4N2O4/c1-20-4-2-3-6(7(17)18)16-9(19)15-5-10(13,14)8(11)12/h6,8H,2-5H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyIBJWXVUYZIGFRZ-UHFFFAOYSA-N
MW304.24 g/mol
LogP1.07
Rot. Bonds9

About 5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid

5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid (PubChem CID 106295178) has the molecular formula C10H16F4N2O4 and a molecular weight of 304.24 g/mol. Its IUPAC name is 5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid
PubChem CID106295178
Molecular FormulaC10H16F4N2O4
Molecular Weight304.24 g/mol
Exact Mass304.10
IUPAC Name5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid
SMILESCOCCCC(NC(=O)NCC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C10H16F4N2O4/c1-20-4-2-3-6(7(17)18)16-9(19)15-5-10(13,14)8(11)12/h6,8H,2-5H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyIBJWXVUYZIGFRZ-UHFFFAOYSA-N
XLogP1.07
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic 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

2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid
CID 106279260
5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 81085400
5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid
CID 106340722
5-methoxy-2-(2-methylsulfonylethylcarbamoylamino)pentanoic acid
CID 81085605
2-[3-(dimethylamino)propylcarbamoylamino]-5-methoxypentanoic acid
CID 81085258
5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 81086247
2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid
CID 106005297
(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
CID 107566134
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxypentanoic acid
CID 115432700
4-methoxy-2-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 55076531
(2S)-4-hydroxy-2-(4-methoxybutylcarbamoylamino)butanoic acid
CID 107827216

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid?
The IUPAC name of 5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid (CID 106295178) is 5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid?
The canonical SMILES for 5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid is COCCCC(NC(=O)NCC(F)(F)C(F)F)C(=O)O.
What is the InChIKey of 5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid?
The InChIKey is IBJWXVUYZIGFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2O4/c1-20-4-2-3-6(7(17)18)16-9(19)15-5-10(13,14)8(11)12/h6,8H,2-5H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid?
5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid has a molecular weight of 304.24 g/mol, XLogP of 1.07, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 106295178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).