(2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid

C11H11F3N2O3 — CID 78972964

IUPAC(2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
SMILESC[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C11H11F3N2O3/c1-6(9(17)18)15-10(19)16-8-4-2-3-7(5-8)11(12,13)14/h2-6H,1H3,(H,17,18)(H2,15,16,19)/t6-/m1/s1
InChIKeyDGYIEAKKNIJZMZ-ZCFIWIBFSA-N
MW276.21 g/mol
LogP2.30
Rot. Bonds3

About (2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid

(2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid (PubChem CID 78972964) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is (2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
PubChem CID78972964
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name(2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
SMILESC[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C11H11F3N2O3/c1-6(9(17)18)15-10(19)16-8-4-2-3-7(5-8)11(12,13)14/h2-6H,1H3,(H,17,18)(H2,15,16,19)/t6-/m1/s1
InChIKeyDGYIEAKKNIJZMZ-ZCFIWIBFSA-N
XLogP2.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid
CID 27209117
(2S)-3-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoate
CID 2025588
1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 106184189
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78776683
(2R)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoic acid
CID 28880698
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
(2R)-2-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
CID 79001303
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26005525
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-(2-hydroxy-3-methylbutyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 115645016

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid?
The IUPAC name of (2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid (CID 78972964) is (2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid is C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of (2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid?
The InChIKey is DGYIEAKKNIJZMZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c1-6(9(17)18)15-10(19)16-8-4-2-3-7(5-8)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-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid?
(2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid has a molecular weight of 276.21 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 78972964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).