methyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate

C11H12F3NO3 — CID 29059481

IUPACmethyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate
SMILESCOC(=O)C[C@@H](N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO3/c1-17-10(16)6-9(15)7-2-4-8(5-3-7)18-11(12,13)14/h2-5,9H,6,15H2,1H3/t9-/m1/s1
InChIKeyNEFHCFFUOYZWKJ-SECBINFHSA-N
MW263.22 g/mol
LogP2.15
Rot. Bonds4

About methyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate

methyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate (PubChem CID 29059481) has the molecular formula C11H12F3NO3 and a molecular weight of 263.22 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate
PubChem CID29059481
Molecular FormulaC11H12F3NO3
Molecular Weight263.22 g/mol
Exact Mass263.08
IUPAC Namemethyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate
SMILESCOC(=O)C[C@@H](N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO3/c1-17-10(16)6-9(15)7-2-4-8(5-3-7)18-11(12,13)14/h2-5,9H,6,15H2,1H3/t9-/m1/s1
InChIKeyNEFHCFFUOYZWKJ-SECBINFHSA-N
XLogP2.15
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 42957249
ethyl (3S)-3-amino-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 154815468
methyl 5-amino-5-[4-(trifluoromethoxy)phenyl]pentanoate
CID 60861488
methyl (3S)-3-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243091
methyl 3-(4-aminopentanoylamino)-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 120560793
methyl (3R)-3-amino-3-[4-(difluoromethyl)phenyl]propanoate
CID 79018359
methyl 3-amino-3-[4-(difluoromethoxy)phenyl]propanoate;hydrochloride
CID 174705729
methyl 4-[(1R)-1-amino-3-methoxy-3-oxopropyl]benzoate
CID 171250582
methyl 3-amino-3-(4-methylphenyl)propanoate
CID 2769473
methyl (3S)-3-amino-3-(4-phenoxyphenyl)propanoate
CID 171242566
methyl (3R)-3-amino-3-(4-ethoxyphenyl)propanoate;hydrochloride
CID 171246532
methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 68701714

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate?
The IUPAC name of methyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate (CID 29059481) is methyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate.
What is the SMILES notation for methyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate?
The canonical SMILES for methyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate is COC(=O)C[C@@H](N)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of methyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate?
The InChIKey is NEFHCFFUOYZWKJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-17-10(16)6-9(15)7-2-4-8(5-3-7)18-11(12,13)14/h2-5,9H,6,15H2,1H3/t9-/m1/s1.
What are the key properties of methyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate?
methyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate has a molecular weight of 263.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate is sourced from PubChem (CID 29059481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).