(3R)-5-(furan-2-ylmethylamino)-5-oxo-3-thiophen-2-ylpentanoic acid

C14H15NO4S — CID 94708709

IUPAC(3R)-5-(furan-2-ylmethylamino)-5-oxo-3-thiophen-2-ylpentanoic acid
SMILESO=C(O)C[C@@H](CC(=O)NCc1ccco1)c1cccs1
InChIInChI=1S/C14H15NO4S/c16-13(15-9-11-3-1-5-19-11)7-10(8-14(17)18)12-4-2-6-20-12/h1-6,10H,7-9H2,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyMIVAPOKONACKHJ-SNVBAGLBSA-N
MW293.34 g/mol
LogP2.61
Rot. Bonds7

About (3R)-5-(furan-2-ylmethylamino)-5-oxo-3-thiophen-2-ylpentanoic acid

(3R)-5-(furan-2-ylmethylamino)-5-oxo-3-thiophen-2-ylpentanoic acid (PubChem CID 94708709) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is (3R)-5-(furan-2-ylmethylamino)-5-oxo-3-thiophen-2-ylpentanoic acid.

Molecular Properties

Compound Name(3R)-5-(furan-2-ylmethylamino)-5-oxo-3-thiophen-2-ylpentanoic acid
PubChem CID94708709
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name(3R)-5-(furan-2-ylmethylamino)-5-oxo-3-thiophen-2-ylpentanoic acid
SMILESO=C(O)C[C@@H](CC(=O)NCc1ccco1)c1cccs1
InChIInChI=1S/C14H15NO4S/c16-13(15-9-11-3-1-5-19-11)7-10(8-14(17)18)12-4-2-6-20-12/h1-6,10H,7-9H2,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyMIVAPOKONACKHJ-SNVBAGLBSA-N
XLogP2.61
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-ylmethylamino)-5-oxo-3-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 2826232
(3R)-5-[(4-fluorophenyl)methylamino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 100816122
2-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide
CID 115285808
5-(methylamino)-5-oxo-3-thiophen-2-ylpentanoic acid
CID 82128267
(3R)-5-[(2,5-dimethylfuran-3-yl)methylamino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 97104963
N-(furan-2-ylmethyl)-2-thiophen-2-ylsulfinylacetamide
CID 75430243
N-(furan-2-ylmethyl)-2-[(R)-thiophen-2-ylsulfinyl]acetamide
CID 97325274
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
5-[furan-2-ylmethyl(2-thiophen-2-ylethyl)amino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 71798249
N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18108046
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
CID 97039064

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(furan-2-ylmethylamino)-5-oxo-3-thiophen-2-ylpentanoic acid?
The IUPAC name of (3R)-5-(furan-2-ylmethylamino)-5-oxo-3-thiophen-2-ylpentanoic acid (CID 94708709) is (3R)-5-(furan-2-ylmethylamino)-5-oxo-3-thiophen-2-ylpentanoic acid.
What is the SMILES notation for (3R)-5-(furan-2-ylmethylamino)-5-oxo-3-thiophen-2-ylpentanoic acid?
The canonical SMILES for (3R)-5-(furan-2-ylmethylamino)-5-oxo-3-thiophen-2-ylpentanoic acid is O=C(O)C[C@@H](CC(=O)NCc1ccco1)c1cccs1.
What is the InChIKey of (3R)-5-(furan-2-ylmethylamino)-5-oxo-3-thiophen-2-ylpentanoic acid?
The InChIKey is MIVAPOKONACKHJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15NO4S/c16-13(15-9-11-3-1-5-19-11)7-10(8-14(17)18)12-4-2-6-20-12/h1-6,10H,7-9H2,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (3R)-5-(furan-2-ylmethylamino)-5-oxo-3-thiophen-2-ylpentanoic acid?
(3R)-5-(furan-2-ylmethylamino)-5-oxo-3-thiophen-2-ylpentanoic acid has a molecular weight of 293.34 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(furan-2-ylmethylamino)-5-oxo-3-thiophen-2-ylpentanoic acid is sourced from PubChem (CID 94708709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).