2-[methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid

C9H15F3N2O3 — CID 55009616

IUPAC2-[methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)N(C)CC(=O)O
InChIInChI=1S/C9H15F3N2O3/c1-6(2)14(5-9(10,11)12)8(17)13(3)4-7(15)16/h6H,4-5H2,1-3H3,(H,15,16)
InChIKeyNTLIRLNABCOCRD-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.40
Rot. Bonds4

About 2-[methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid

2-[methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (PubChem CID 55009616) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-[methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
PubChem CID55009616
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2-[methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)N(C)CC(=O)O
InChIInChI=1S/C9H15F3N2O3/c1-6(2)14(5-9(10,11)12)8(17)13(3)4-7(15)16/h6H,4-5H2,1-3H3,(H,15,16)
InChIKeyNTLIRLNABCOCRD-UHFFFAOYSA-N
XLogP1.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (CID 55009616) is 2-[methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is CC(C)N(CC(F)(F)F)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The InChIKey is NTLIRLNABCOCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-6(2)14(5-9(10,11)12)8(17)13(3)4-7(15)16/h6H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-[methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
2-[methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid has a molecular weight of 256.22 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 55009616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).