2-[ethyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid

C12H21F3N2O3 — CID 62822397

IUPAC2-[ethyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)N(CC(F)(F)F)C(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C12H21F3N2O3/c1-6-17(11(4,5)9(18)19)10(20)16(8(2)3)7-12(13,14)15/h8H,6-7H2,1-5H3,(H,18,19)
InChIKeyOWDYMIVUSBRFNQ-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.56
Rot. Bonds5

About 2-[ethyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid

2-[ethyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62822397) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-[ethyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62822397
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name2-[ethyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)N(CC(F)(F)F)C(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C12H21F3N2O3/c1-6-17(11(4,5)9(18)19)10(20)16(8(2)3)7-12(13,14)15/h8H,6-7H2,1-5H3,(H,18,19)
InChIKeyOWDYMIVUSBRFNQ-UHFFFAOYSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid (CID 62822397) is 2-[ethyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)N(CC(F)(F)F)C(C)C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is OWDYMIVUSBRFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c1-6-17(11(4,5)9(18)19)10(20)16(8(2)3)7-12(13,14)15/h8H,6-7H2,1-5H3,(H,18,19).
What are the key properties of 2-[ethyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 298.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62822397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).