3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid

C7H10F4N2O3 — CID 106295060

IUPAC3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H10F4N2O3/c8-5(9)7(10,11)3-13-6(16)12-2-1-4(14)15/h5H,1-3H2,(H,14,15)(H2,12,13,16)
InChIKeyVTUUBVRJYLTELT-UHFFFAOYSA-N
MW246.16 g/mol
LogP0.66
Rot. Bonds6

About 3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid

3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid (PubChem CID 106295060) has the molecular formula C7H10F4N2O3 and a molecular weight of 246.16 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid
PubChem CID106295060
Molecular FormulaC7H10F4N2O3
Molecular Weight246.16 g/mol
Exact Mass246.06
IUPAC Name3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H10F4N2O3/c8-5(9)7(10,11)3-13-6(16)12-2-1-4(14)15/h5H,1-3H2,(H,14,15)(H2,12,13,16)
InChIKeyVTUUBVRJYLTELT-UHFFFAOYSA-N
XLogP0.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2,3,3-tetrafluoropropylcarbamoylamino)butanoic acid
CID 106294940
5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid
CID 106294846
3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid
CID 63227638
3-methyl-3-(2,2,3,3-tetrafluoropropylcarbamoylamino)butanoic acid
CID 106294878
2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]butanoic acid
CID 114169813
2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 106294972
3-[2-(trifluoromethoxy)ethylcarbamoylamino]propanoic acid
CID 122011441
3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106291636
3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid
CID 106294879
2-[2-(2,2,3,3-tetrafluoropropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 106294835
3-[[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]carbamoylamino]propanoic acid
CID 122011306
3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]propanoic acid
CID 63834599

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid (CID 106295060) is 3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid is O=C(O)CCNC(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid?
The InChIKey is VTUUBVRJYLTELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4N2O3/c8-5(9)7(10,11)3-13-6(16)12-2-1-4(14)15/h5H,1-3H2,(H,14,15)(H2,12,13,16).
What are the key properties of 3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid?
3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid has a molecular weight of 246.16 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid is sourced from PubChem (CID 106295060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).