3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid

C10H14F4N2O3 — CID 106294879

IUPAC3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)NCC(F)(F)C(F)F)C1CC1
InChIInChI=1S/C10H14F4N2O3/c11-8(12)10(13,14)5-15-9(19)16(6-1-2-6)4-3-7(17)18/h6,8H,1-5H2,(H,15,19)(H,17,18)
InChIKeyDSFFMCMLLJWCCO-UHFFFAOYSA-N
MW286.22 g/mol
LogP1.54
Rot. Bonds7

About 3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid

3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid (PubChem CID 106294879) has the molecular formula C10H14F4N2O3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid
PubChem CID106294879
Molecular FormulaC10H14F4N2O3
Molecular Weight286.22 g/mol
Exact Mass286.09
IUPAC Name3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)NCC(F)(F)C(F)F)C1CC1
InChIInChI=1S/C10H14F4N2O3/c11-8(12)10(13,14)5-15-9(19)16(6-1-2-6)4-3-7(17)18/h6,8H,1-5H2,(H,15,19)(H,17,18)
InChIKeyDSFFMCMLLJWCCO-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid
CID 61209232
3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 61200800
3-[cyclopropyl(5-methylhexylcarbamoyl)amino]propanoic acid
CID 113287750
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
4-(2,2,3,3-tetrafluoropropylcarbamoylamino)butanoic acid
CID 106294940
2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid
CID 114169808
1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea
CID 106291111
N-cyclopropyl-N-ethyl-2-(2,2,3,3-tetrafluoropropylamino)acetamide
CID 114169288
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001609
3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid
CID 61181431
1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115620424
3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid
CID 106340311

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid (CID 106294879) is 3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid is O=C(O)CCN(C(=O)NCC(F)(F)C(F)F)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid?
The InChIKey is DSFFMCMLLJWCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4N2O3/c11-8(12)10(13,14)5-15-9(19)16(6-1-2-6)4-3-7(17)18/h6,8H,1-5H2,(H,15,19)(H,17,18).
What are the key properties of 3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid?
3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid has a molecular weight of 286.22 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 106294879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).