tert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate

C15H20FNO3 — CID 103774608

IUPACtert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate
SMILESCc1cc(F)cc(C(=O)N[C@H](C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H20FNO3/c1-9-6-11(8-12(16)7-9)13(18)17-10(2)14(19)20-15(3,4)5/h6-8,10H,1-5H3,(H,17,18)/t10-/m1/s1
InChIKeyLJUNQOBWOSXCEL-SNVBAGLBSA-N
MW281.33 g/mol
LogP2.59
Rot. Bonds3

About tert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate

tert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate (PubChem CID 103774608) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate
PubChem CID103774608
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Nametert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate
SMILESCc1cc(F)cc(C(=O)N[C@H](C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H20FNO3/c1-9-6-11(8-12(16)7-9)13(18)17-10(2)14(19)20-15(3,4)5/h6-8,10H,1-5H3,(H,17,18)/t10-/m1/s1
InChIKeyLJUNQOBWOSXCEL-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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Related Compounds

tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate
CID 81004313
methyl (2S)-2-[(3,5-difluorobenzoyl)amino]propanoate
CID 47337377
tert-butyl 2-(3-fluoro-5-methylanilino)propanoate
CID 79054844
tert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate
CID 81003388
tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate
CID 81435817
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223
tert-butyl (2R)-2-[(4-bromo-3-fluorobenzoyl)amino]propanoate
CID 81003599
tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 80998584
tert-butyl (2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoate
CID 163198765
tert-butyl (2S)-2-[(3,4-dihydroxybenzoyl)amino]propanoate
CID 103957625
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide
CID 113265798
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate
CID 115659766

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate (CID 103774608) is tert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate is Cc1cc(F)cc(C(=O)N[C@H](C)C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate?
The InChIKey is LJUNQOBWOSXCEL-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-9-6-11(8-12(16)7-9)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-[(3-fluoro-5-methylbenzoyl)amino]propanoate?
tert-butyl (2R)-2-[(3-fluoro-5-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-[(3-fluoro-5-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 103774608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).