4-[methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid

C11H19F3N2O3 — CID 55010001

IUPAC4-[methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
SMILESCCCN(CC(F)(F)F)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-3-6-16(8-11(12,13)14)10(19)15(2)7-4-5-9(17)18/h3-8H2,1-2H3,(H,17,18)
InChIKeyKPNNFKCKDAIEDA-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.18
Rot. Bonds7

About 4-[methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid

4-[methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid (PubChem CID 55010001) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-[methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
PubChem CID55010001
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name4-[methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
SMILESCCCN(CC(F)(F)F)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-3-6-16(8-11(12,13)14)10(19)15(2)7-4-5-9(17)18/h3-8H2,1-2H3,(H,17,18)
InChIKeyKPNNFKCKDAIEDA-UHFFFAOYSA-N
XLogP2.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[Methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid
CID 43151856
4-[Methyl(2,2,2-trifluoroethylcarbamoyl)amino]butanoic acid
CID 43151981
4-[Butyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 54875519
4-[Propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid
CID 54926281
3-[Ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009520
4-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009606
4-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid
CID 55009612
4-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009762
3-[Ethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009949
1-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid
CID 55010134
4-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55010141
4-[Propan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid
CID 55175535

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid (CID 55010001) is 4-[methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid is CCCN(CC(F)(F)F)C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid?
The InChIKey is KPNNFKCKDAIEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-3-6-16(8-11(12,13)14)10(19)15(2)7-4-5-9(17)18/h3-8H2,1-2H3,(H,17,18).
What are the key properties of 4-[methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid?
4-[methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid has a molecular weight of 284.28 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 55010001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).