3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid

C10H15F3N2O3 — CID 106216421

IUPAC3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c1-2-15(6-3-7(16)17)8(18)14-9(4-5-9)10(11,12)13/h2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyMESIKKDQPARUIG-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.59
Rot. Bonds5

About 3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid

3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid (PubChem CID 106216421) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid
PubChem CID106216421
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c1-2-15(6-3-7(16)17)8(18)14-9(4-5-9)10(11,12)13/h2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyMESIKKDQPARUIG-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 55009511
3-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009560
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 55009662
3-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009709
3-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009711
3-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009713
3-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009761
3-[Cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009852
3-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55009954
2-Methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55010050
3-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55010095
3-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55010097

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid (CID 106216421) is 3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid?
The InChIKey is MESIKKDQPARUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-2-15(6-3-7(16)17)8(18)14-9(4-5-9)10(11,12)13/h2-6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid?
3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid has a molecular weight of 268.23 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 106216421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).