(2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid

C10H17F3N2O3 — CID 79010195

IUPAC(2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)N(C)CCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H17F3N2O3/c1-6(2)7(8(16)17)14-9(18)15(3)5-4-10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,18)(H,16,17)/t7-/m1/s1
InChIKeyRPQNUYGUUDMABS-SSDOTTSWSA-N
MW270.25 g/mol
LogP1.69
Rot. Bonds5

About (2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid

(2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid (PubChem CID 79010195) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid
PubChem CID79010195
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name(2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)N(C)CCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H17F3N2O3/c1-6(2)7(8(16)17)14-9(18)15(3)5-4-10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,18)(H,16,17)/t7-/m1/s1
InChIKeyRPQNUYGUUDMABS-SSDOTTSWSA-N
XLogP1.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 63701166
(2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010163
(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81061955
3-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009419
(2S)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 61198805
(2R)-5-methoxy-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107828176
(2S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 55009565
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-methylbutanoic acid
CID 61235989
(2S)-3-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 79486957
3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid
CID 103159562
(2R)-3-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)butanoic acid
CID 115521453
(2R)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010281

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid (CID 79010195) is (2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid is CC(C)[C@@H](NC(=O)N(C)CCC(F)(F)F)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid?
The InChIKey is RPQNUYGUUDMABS-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-6(2)7(8(16)17)14-9(18)15(3)5-4-10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,18)(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid?
(2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid has a molecular weight of 270.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 79010195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).