3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide

C10H11F3N2O3 — CID 170876399

IUPAC3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide
SMILESNC(=O)CC(N)c1cccc(OC(F)(F)F)c1O
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)18-7-3-1-2-5(9(7)17)6(14)4-8(15)16/h1-3,6,17H,4,14H2,(H2,15,16)
InChIKeyPSMKMSKBSZRKFQ-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.17
Rot. Bonds4

About 3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide

3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide (PubChem CID 170876399) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide
PubChem CID170876399
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide
SMILESNC(=O)CC(N)c1cccc(OC(F)(F)F)c1O
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)18-7-3-1-2-5(9(7)17)6(14)4-8(15)16/h1-3,6,17H,4,14H2,(H2,15,16)
InChIKeyPSMKMSKBSZRKFQ-UHFFFAOYSA-N
XLogP1.17
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide
CID 170875664
2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol
CID 66514766
2-[(1S)-1-amino-2-fluoroethyl]-6-(trifluoromethoxy)phenol;hydrochloride
CID 171258866
methyl (2S)-2-amino-2-[2-hydroxy-3-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 171258855
3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 103694228
2-[(1S)-1-aminoethyl]-6-(trifluoromethoxy)phenol;hydrochloride
CID 171255504
3-[2-(trifluoromethoxy)phenyl]butanamide
CID 50995485
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-(trifluoromethoxy)phenol
CID 171255546
3-amino-3-(2,3-dimethoxyphenyl)propanamide
CID 43147937
methyl (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171249783
methyl (3S)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243050
ethyl 2-[2-hydroxy-3-(trifluoromethoxy)phenyl]acetate
CID 134638969

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide (CID 170876399) is 3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide is NC(=O)CC(N)c1cccc(OC(F)(F)F)c1O.
What is the InChIKey of 3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is PSMKMSKBSZRKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c11-10(12,13)18-7-3-1-2-5(9(7)17)6(14)4-8(15)16/h1-3,6,17H,4,14H2,(H2,15,16).
What are the key properties of 3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide?
3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 264.20 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 170876399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).