tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate

C15H20FNO4 — CID 80998584

IUPACtert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
SMILESCOc1cc(C(=O)N[C@H](C)C(=O)OC(C)(C)C)ccc1F
InChIInChI=1S/C15H20FNO4/c1-9(14(19)21-15(2,3)4)17-13(18)10-6-7-11(16)12(8-10)20-5/h6-9H,1-5H3,(H,17,18)/t9-/m1/s1
InChIKeyIZSVUXXNXFJVLV-SECBINFHSA-N
MW297.33 g/mol
LogP2.29
Rot. Bonds4

About tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate

tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate (PubChem CID 80998584) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
PubChem CID80998584
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Nametert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
SMILESCOc1cc(C(=O)N[C@H](C)C(=O)OC(C)(C)C)ccc1F
InChIInChI=1S/C15H20FNO4/c1-9(14(19)21-15(2,3)4)17-13(18)10-6-7-11(16)12(8-10)20-5/h6-9H,1-5H3,(H,17,18)/t9-/m1/s1
InChIKeyIZSVUXXNXFJVLV-SECBINFHSA-N
XLogP2.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate
CID 81435817
(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283790
tert-butyl (2R)-2-[(4-bromo-3-fluorobenzoyl)amino]propanoate
CID 81003599
tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate
CID 81004313
N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 81283356
tert-butyl (2S)-2-[(3,4-dihydroxybenzoyl)amino]propanoate
CID 103957625
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223
tert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate
CID 103774608
tert-butyl (2R)-2-[(5-bromo-2-fluorobenzoyl)amino]propanoate
CID 81003907
tert-butyl (2S)-2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 103822368
N-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide
CID 97321512

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate (CID 80998584) is tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate is COc1cc(C(=O)N[C@H](C)C(=O)OC(C)(C)C)ccc1F.
What is the InChIKey of tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate?
The InChIKey is IZSVUXXNXFJVLV-SECBINFHSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-9(14(19)21-15(2,3)4)17-13(18)10-6-7-11(16)12(8-10)20-5/h6-9H,1-5H3,(H,17,18)/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate?
tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate has a molecular weight of 297.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate is sourced from PubChem (CID 80998584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).