tert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate

C15H20FNO4 — CID 124608391

IUPACtert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
SMILESC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C15H20FNO4/c1-9(14(20)21-15(2,3)4)17(5)13(19)11-8-10(16)6-7-12(11)18/h6-9,18H,1-5H3/t9-/m1/s1
InChIKeyYTQGOSLOGDTILX-SECBINFHSA-N
MW297.33 g/mol
LogP2.33
Rot. Bonds3

About tert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate

tert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate (PubChem CID 124608391) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
PubChem CID124608391
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Nametert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
SMILESC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C15H20FNO4/c1-9(14(20)21-15(2,3)4)17(5)13(19)11-8-10(16)6-7-12(11)18/h6-9,18H,1-5H3/t9-/m1/s1
InChIKeyYTQGOSLOGDTILX-SECBINFHSA-N
XLogP2.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-1-sulfanylidenepropan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 113281571
N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 113281484
N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299640
2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide
CID 60939640
2-[(2,5-dihydroxybenzoyl)-methylamino]propanoic acid
CID 107721641
5-fluoro-2-hydroxy-N-propan-2-yl-N-(1,2,2-trifluoroethyl)benzamide
CID 174217865
2-[[4-fluoro-2-(trifluoromethyl)benzoyl]-methylamino]propanoic acid
CID 119358734
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
CID 115298884
tert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate
CID 81003388
5-fluoro-2-hydroxy-N-methyl-N-(4-methylphenyl)benzamide
CID 115299057
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788857

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate (CID 124608391) is tert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate is C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(F)ccc1O.
What is the InChIKey of tert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate?
The InChIKey is YTQGOSLOGDTILX-SECBINFHSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-9(14(20)21-15(2,3)4)17(5)13(19)11-8-10(16)6-7-12(11)18/h6-9,18H,1-5H3/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate?
tert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate has a molecular weight of 297.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate is sourced from PubChem (CID 124608391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).