methyl 2-[(5-methylfuran-2-yl)methoxycarbonylamino]-3-phenylpropanoate

C17H19NO5 — CID 177478576

IUPACmethyl 2-[(5-methylfuran-2-yl)methoxycarbonylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)OCc1ccc(C)o1
InChIInChI=1S/C17H19NO5/c1-12-8-9-14(23-12)11-22-17(20)18-15(16(19)21-2)10-13-6-4-3-5-7-13/h3-9,15H,10-11H2,1-2H3,(H,18,20)
InChIKeyRFOGIBYDORJEDX-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.60
Rot. Bonds6

About methyl 2-[(5-methylfuran-2-yl)methoxycarbonylamino]-3-phenylpropanoate

methyl 2-[(5-methylfuran-2-yl)methoxycarbonylamino]-3-phenylpropanoate (PubChem CID 177478576) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is methyl 2-[(5-methylfuran-2-yl)methoxycarbonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(5-methylfuran-2-yl)methoxycarbonylamino]-3-phenylpropanoate
PubChem CID177478576
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Namemethyl 2-[(5-methylfuran-2-yl)methoxycarbonylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)OCc1ccc(C)o1
InChIInChI=1S/C17H19NO5/c1-12-8-9-14(23-12)11-22-17(20)18-15(16(19)21-2)10-13-6-4-3-5-7-13/h3-9,15H,10-11H2,1-2H3,(H,18,20)
InChIKeyRFOGIBYDORJEDX-UHFFFAOYSA-N
XLogP2.60
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate
CID 12990920
methyl 3-[4-(hydroxymethyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate
CID 67401665
methyl 3-(4-ethylphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 59585305
methyl 3-(4-aminophenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 118308465
benzyl (3R)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
CID 26791006
methyl 3-(4-methoxyphenyl)-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 141457843
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
methyl 3-(3,4-dimethylphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 18736717
methyl (2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoate
CID 92643296
methyl (2S)-3-(4-butoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 68523256
methyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate
CID 139762783
ethyl (2S)-3-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 10522314

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methylfuran-2-yl)methoxycarbonylamino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(5-methylfuran-2-yl)methoxycarbonylamino]-3-phenylpropanoate (CID 177478576) is methyl 2-[(5-methylfuran-2-yl)methoxycarbonylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(5-methylfuran-2-yl)methoxycarbonylamino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(5-methylfuran-2-yl)methoxycarbonylamino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)OCc1ccc(C)o1.
What is the InChIKey of methyl 2-[(5-methylfuran-2-yl)methoxycarbonylamino]-3-phenylpropanoate?
The InChIKey is RFOGIBYDORJEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-12-8-9-14(23-12)11-22-17(20)18-15(16(19)21-2)10-13-6-4-3-5-7-13/h3-9,15H,10-11H2,1-2H3,(H,18,20).
What are the key properties of methyl 2-[(5-methylfuran-2-yl)methoxycarbonylamino]-3-phenylpropanoate?
methyl 2-[(5-methylfuran-2-yl)methoxycarbonylamino]-3-phenylpropanoate has a molecular weight of 317.34 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methylfuran-2-yl)methoxycarbonylamino]-3-phenylpropanoate is sourced from PubChem (CID 177478576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).