methyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate

C12H13NO3S — CID 170884292

IUPACmethyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate
SMILESCOC(=O)C(N)Cc1ccc(-c2cccs2)o1
InChIInChI=1S/C12H13NO3S/c1-15-12(14)9(13)7-8-4-5-10(16-8)11-3-2-6-17-11/h2-6,9H,7,13H2,1H3
InChIKeyUFNQRCTYYVAQOU-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.05
Rot. Bonds4

About methyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate

methyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate (PubChem CID 170884292) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is methyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate
PubChem CID170884292
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Namemethyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate
SMILESCOC(=O)C(N)Cc1ccc(-c2cccs2)o1
InChIInChI=1S/C12H13NO3S/c1-15-12(14)9(13)7-8-4-5-10(16-8)11-3-2-6-17-11/h2-6,9H,7,13H2,1H3
InChIKeyUFNQRCTYYVAQOU-UHFFFAOYSA-N
XLogP2.05
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351
methyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate
CID 170884284
methyl 2-amino-3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanoate
CID 170884286
1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264543
2-thiophen-2-yl-5-(5-thiophen-2-ylfuran-2-yl)furan
CID 102347671
2,2-diphenyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]acetamide
CID 122264322
methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate
CID 22661369
N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264488
methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate
CID 170883905
methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate
CID 75608706
methyl (E)-3-(5-thiophen-2-ylfuran-2-yl)but-2-enoate
CID 82543685
methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate
CID 170883928

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate (CID 170884292) is methyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate is COC(=O)C(N)Cc1ccc(-c2cccs2)o1.
What is the InChIKey of methyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate?
The InChIKey is UFNQRCTYYVAQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-15-12(14)9(13)7-8-4-5-10(16-8)11-3-2-6-17-11/h2-6,9H,7,13H2,1H3.
What are the key properties of methyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate?
methyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate has a molecular weight of 251.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate is sourced from PubChem (CID 170884292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).