methyl (2S)-2-[benzoyl(furan-2-yl)amino]propanoate

C15H15NO4 — CID 70397123

IUPACmethyl (2S)-2-[benzoyl(furan-2-yl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C15H15NO4/c1-11(15(18)19-2)16(13-9-6-10-20-13)14(17)12-7-4-3-5-8-12/h3-11H,1-2H3/t11-/m0/s1
InChIKeyWQBVELUADHSVKL-NSHDSACASA-N
MW273.29 g/mol
LogP2.49
Rot. Bonds4

About methyl (2S)-2-[benzoyl(furan-2-yl)amino]propanoate

methyl (2S)-2-[benzoyl(furan-2-yl)amino]propanoate (PubChem CID 70397123) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl (2S)-2-[benzoyl(furan-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[benzoyl(furan-2-yl)amino]propanoate
PubChem CID70397123
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl (2S)-2-[benzoyl(furan-2-yl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C15H15NO4/c1-11(15(18)19-2)16(13-9-6-10-20-13)14(17)12-7-4-3-5-8-12/h3-11H,1-2H3/t11-/m0/s1
InChIKeyWQBVELUADHSVKL-NSHDSACASA-N
XLogP2.49
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[benzoyl(furan-2-yl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[benzoyl(furan-2-yl)amino]propanoate (CID 70397123) is methyl (2S)-2-[benzoyl(furan-2-yl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[benzoyl(furan-2-yl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[benzoyl(furan-2-yl)amino]propanoate is COC(=O)[C@H](C)N(C(=O)c1ccccc1)c1ccco1.
What is the InChIKey of methyl (2S)-2-[benzoyl(furan-2-yl)amino]propanoate?
The InChIKey is WQBVELUADHSVKL-NSHDSACASA-N. The full InChI is InChI=1S/C15H15NO4/c1-11(15(18)19-2)16(13-9-6-10-20-13)14(17)12-7-4-3-5-8-12/h3-11H,1-2H3/t11-/m0/s1.
What are the key properties of methyl (2S)-2-[benzoyl(furan-2-yl)amino]propanoate?
methyl (2S)-2-[benzoyl(furan-2-yl)amino]propanoate has a molecular weight of 273.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[benzoyl(furan-2-yl)amino]propanoate is sourced from PubChem (CID 70397123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).