tert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate

C15H20FNO3 — CID 81003388

IUPACtert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate
SMILESCc1ccc(F)cc1C(=O)N[C@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H20FNO3/c1-9-6-7-11(16)8-12(9)13(18)17-10(2)14(19)20-15(3,4)5/h6-8,10H,1-5H3,(H,17,18)/t10-/m1/s1
InChIKeyCTIJVZZNEXZDTL-SNVBAGLBSA-N
MW281.33 g/mol
LogP2.59
Rot. Bonds3

About tert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate

tert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate (PubChem CID 81003388) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate
PubChem CID81003388
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Nametert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate
SMILESCc1ccc(F)cc1C(=O)N[C@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H20FNO3/c1-9-6-7-11(16)8-12(9)13(18)17-10(2)14(19)20-15(3,4)5/h6-8,10H,1-5H3,(H,17,18)/t10-/m1/s1
InChIKeyCTIJVZZNEXZDTL-SNVBAGLBSA-N
XLogP2.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate (CID 81003388) is tert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate is Cc1ccc(F)cc1C(=O)N[C@H](C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate?
The InChIKey is CTIJVZZNEXZDTL-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-9-6-7-11(16)8-12(9)13(18)17-10(2)14(19)20-15(3,4)5/h6-8,10H,1-5H3,(H,17,18)/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate?
tert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate has a molecular weight of 281.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 81003388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).