methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate

C15H15NO4 — CID 14460596

IUPACmethyl (2R)-2-benzamido-3-(furan-2-yl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C15H15NO4/c1-19-15(18)13(10-12-8-5-9-20-12)16-14(17)11-6-3-2-4-7-11/h2-9,13H,10H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyYWFIFGXFBLJTLV-CYBMUJFWSA-N
MW273.29 g/mol
LogP1.79
Rot. Bonds5

About methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate

methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate (PubChem CID 14460596) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-benzamido-3-(furan-2-yl)propanoate
PubChem CID14460596
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl (2R)-2-benzamido-3-(furan-2-yl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C15H15NO4/c1-19-15(18)13(10-12-8-5-9-20-12)16-14(17)11-6-3-2-4-7-11/h2-9,13H,10H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyYWFIFGXFBLJTLV-CYBMUJFWSA-N
XLogP1.79
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
methyl 2-benzamido-3-(5-bromofuran-2-yl)propanoate
CID 139762771
(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 97184369
(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287
methyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate
CID 139762755
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoate
CID 75488005
methyl (2S)-2-benzamido-3-(2,6-dibromophenyl)propanoate
CID 162524147
[(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate
CID 86334795
methyl 2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-phenylpropanoate
CID 4789733
methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate
CID 15638338
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
methyl 2-benzamido-4-methylpent-4-enoate
CID 14493675

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate?
The IUPAC name of methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate (CID 14460596) is methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate?
The canonical SMILES for methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate is COC(=O)[C@@H](Cc1ccco1)NC(=O)c1ccccc1.
What is the InChIKey of methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate?
The InChIKey is YWFIFGXFBLJTLV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15NO4/c1-19-15(18)13(10-12-8-5-9-20-12)16-14(17)11-6-3-2-4-7-11/h2-9,13H,10H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate?
methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate has a molecular weight of 273.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate is sourced from PubChem (CID 14460596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).