tert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate

C14H20FNO3 — CID 71164693

IUPACtert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate
SMILESCC(C)(C)OC(=O)[C@H](N)Cc1ccc(OCF)cc1
InChIInChI=1S/C14H20FNO3/c1-14(2,3)19-13(17)12(16)8-10-4-6-11(7-5-10)18-9-15/h4-7,12H,8-9,16H2,1-3H3/t12-/m1/s1
InChIKeyDBPOHOOLWKEUPX-GFCCVEGCSA-N
MW269.32 g/mol
LogP2.20
Rot. Bonds5

About tert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate

tert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate (PubChem CID 71164693) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is tert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate
PubChem CID71164693
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Nametert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate
SMILESCC(C)(C)OC(=O)[C@H](N)Cc1ccc(OCF)cc1
InChIInChI=1S/C14H20FNO3/c1-14(2,3)19-13(17)12(16)8-10-4-6-11(7-5-10)18-9-15/h4-7,12H,8-9,16H2,1-3H3/t12-/m1/s1
InChIKeyDBPOHOOLWKEUPX-GFCCVEGCSA-N
XLogP2.20
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-amino-3-(4-prop-2-enoxyphenyl)propanoate
CID 123981961
(2S)-2-amino-3-[4-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]propanoic acid
CID 175327393
tert-butyl 2-amino-3-[4-[(4-cyanophenyl)methoxy]phenyl]propanoate
CID 70059435
tert-butyl (2S)-2-amino-3-(4-chlorophenyl)propanoate
CID 54165475
tert-butyl 2-amino-3-(4-prop-1-ynylphenyl)propanoate
CID 123140867
tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
CID 141206452
[4-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-acetylpiperazine-1-carboxylate
CID 142677574
tert-butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
CID 10857989
tert-butyl 2-amino-3-(3,4-dichlorophenyl)propanoate
CID 83226012
tert-butyl 2-amino-3-(4-chloro-3-fluorophenyl)propanoate
CID 114012328
tert-butyl (2S)-2-amino-3-(3-bromo-4-fluorophenyl)propanoate
CID 68770438
methyl (2S)-2-amino-3-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]phenyl]propanoate
CID 15850730

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate?
The IUPAC name of tert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate (CID 71164693) is tert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate?
The canonical SMILES for tert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate is CC(C)(C)OC(=O)[C@H](N)Cc1ccc(OCF)cc1.
What is the InChIKey of tert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate?
The InChIKey is DBPOHOOLWKEUPX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(2,3)19-13(17)12(16)8-10-4-6-11(7-5-10)18-9-15/h4-7,12H,8-9,16H2,1-3H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate?
tert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate has a molecular weight of 269.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate is sourced from PubChem (CID 71164693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).