methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate

C15H15NO4 — CID 41177012

IUPACmethyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate
SMILESCOC(=O)C[C@H](NC(=O)c1ccoc1)c1ccccc1
InChIInChI=1S/C15H15NO4/c1-19-14(17)9-13(11-5-3-2-4-6-11)16-15(18)12-7-8-20-10-12/h2-8,10,13H,9H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyIRDSELAJRUGSMD-ZDUSSCGKSA-N
MW273.29 g/mol
LogP2.31
Rot. Bonds5

About methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate

methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate (PubChem CID 41177012) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate
PubChem CID41177012
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate
SMILESCOC(=O)C[C@H](NC(=O)c1ccoc1)c1ccccc1
InChIInChI=1S/C15H15NO4/c1-19-14(17)9-13(11-5-3-2-4-6-11)16-15(18)12-7-8-20-10-12/h2-8,10,13H,9H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyIRDSELAJRUGSMD-ZDUSSCGKSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide
CID 113258885
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
methyl 3-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoate
CID 46637564
methyl 3-(4-acetylphenyl)-3-benzamidopropanoate
CID 18797721
N-[(1R)-2-(2-oxo-1-pyridinyl)-1-phenylethyl]furan-3-carboxamide
CID 100735320
methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
CID 18098156
3-(4-bromophenyl)-3-(furan-3-carbonylamino)propanoic acid
CID 75417900
(3R)-3-(4-bromophenyl)-3-(furan-3-carbonylamino)propanoic acid
CID 97209280
methyl (3R)-3-(1,3-benzodioxole-5-carbonylamino)-3-phenylpropanoate
CID 41099386
methyl (3S)-3-[(4-nitrobenzoyl)amino]-3-phenylpropanoate
CID 91556089
methyl 3-benzamido-3-[4-(trifluoromethyl)phenyl]propanoate
CID 18797714
methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate
CID 46483385

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate?
The IUPAC name of methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate (CID 41177012) is methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate is COC(=O)C[C@H](NC(=O)c1ccoc1)c1ccccc1.
What is the InChIKey of methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate?
The InChIKey is IRDSELAJRUGSMD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15NO4/c1-19-14(17)9-13(11-5-3-2-4-6-11)16-15(18)12-7-8-20-10-12/h2-8,10,13H,9H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate?
methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate has a molecular weight of 273.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 41177012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).