methyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate

C14H15NO3 — CID 72983472

IUPACmethyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(N)Cc2ccccc2)o1
InChIInChI=1S/C14H15NO3/c1-17-14(16)13-8-7-12(18-13)11(15)9-10-5-3-2-4-6-10/h2-8,11H,9,15H2,1H3
InChIKeyRMWXZSJPQXNKTE-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.31
Rot. Bonds4

About methyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate

methyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate (PubChem CID 72983472) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate
PubChem CID72983472
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(N)Cc2ccccc2)o1
InChIInChI=1S/C14H15NO3/c1-17-14(16)13-8-7-12(18-13)11(15)9-10-5-3-2-4-6-10/h2-8,11H,9,15H2,1H3
InChIKeyRMWXZSJPQXNKTE-UHFFFAOYSA-N
XLogP2.31
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(1S)-1-amino-2-phenylethyl]furan-2-carboxylate;2,2,2-trifluoroacetic acid
CID 11674880
methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 86175043
methyl 5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]furan-2-carboxylate
CID 171855884
methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761
methyl 5-[2-(3-bromophenyl)-1-hydroxyethyl]furan-2-carboxylate
CID 106947176
methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate
CID 103265575
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate
CID 22763650
[(1S)-1-(5-methoxycarbonylfuran-2-yl)ethyl]-trimethylazanium
CID 919267

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate (CID 72983472) is methyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate is COC(=O)c1ccc(C(N)Cc2ccccc2)o1.
What is the InChIKey of methyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate?
The InChIKey is RMWXZSJPQXNKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-17-14(16)13-8-7-12(18-13)11(15)9-10-5-3-2-4-6-10/h2-8,11H,9,15H2,1H3.
What are the key properties of methyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate?
methyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate is sourced from PubChem (CID 72983472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).