(2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid

C11H11F3N2O4 — CID 51428415

IUPAC(2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
SMILESC[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)O
InChIInChI=1S/C11H11F3N2O4/c1-6(9(17)18)15-10(19)16-7-2-4-8(5-3-7)20-11(12,13)14/h2-6H,1H3,(H,17,18)(H2,15,16,19)/t6-/m1/s1
InChIKeyNIFREHYMGDEFNO-ZCFIWIBFSA-N
MW292.21 g/mol
LogP2.18
Rot. Bonds4

About (2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid

(2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid (PubChem CID 51428415) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is (2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
PubChem CID51428415
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name(2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
SMILESC[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)O
InChIInChI=1S/C11H11F3N2O4/c1-6(9(17)18)15-10(19)16-7-2-4-8(5-3-7)20-11(12,13)14/h2-6H,1H3,(H,17,18)(H2,15,16,19)/t6-/m1/s1
InChIKeyNIFREHYMGDEFNO-ZCFIWIBFSA-N
XLogP2.18
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyanomethyl)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanamide
CID 90863717
1-(4-aminobutan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115564848
1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 110027288
(2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid
CID 20848024
(2S)-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]propanoic acid
CID 119238043
methyl (2R,3S)-3-methyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]pentanoate
CID 7641170
(2S)-4-methyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]pentanoate
CID 7562583
(2S)-2-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 55059835
2-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 4026936
1-(2-methylpropoxy)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115752914
4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 55852205
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid?
The IUPAC name of (2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid (CID 51428415) is (2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid is C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid?
The InChIKey is NIFREHYMGDEFNO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-6(9(17)18)15-10(19)16-7-2-4-8(5-3-7)20-11(12,13)14/h2-6H,1H3,(H,17,18)(H2,15,16,19)/t6-/m1/s1.
What are the key properties of (2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid?
(2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid has a molecular weight of 292.21 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 51428415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).