2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid

C10H12O5S — CID 43241570

IUPAC2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid
SMILESCOC(=O)c1occc1CSC(C)C(=O)O
InChIInChI=1S/C10H12O5S/c1-6(9(11)12)16-5-7-3-4-15-8(7)10(13)14-2/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKeySUMJVVZJDJXATM-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.77
Rot. Bonds5

About 2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid

2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid (PubChem CID 43241570) has the molecular formula C10H12O5S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid
PubChem CID43241570
Molecular FormulaC10H12O5S
Molecular Weight244.27 g/mol
Exact Mass244.04
IUPAC Name2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid
SMILESCOC(=O)c1occc1CSC(C)C(=O)O
InChIInChI=1S/C10H12O5S/c1-6(9(11)12)16-5-7-3-4-15-8(7)10(13)14-2/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKeySUMJVVZJDJXATM-UHFFFAOYSA-N
XLogP1.77
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid
CID 93040370
methyl 3-[(3-amino-2-methylpropyl)sulfanylmethyl]furan-2-carboxylate
CID 66224974
2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]benzoic acid
CID 43244839
methyl 3-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65315678
methyl 3-[(2-amino-4-bromophenyl)sulfanylmethyl]furan-2-carboxylate
CID 43305783
methyl 3-[(4-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carboxylate
CID 43305184
methyl 3-[(2-amino-5-fluorophenyl)sulfanylmethyl]furan-2-carboxylate
CID 79143948
methyl 3-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]furan-2-carboxylate
CID 103923910
methyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate
CID 113352553
methyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate
CID 115924474
methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate
CID 43776577
methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
CID 43777897

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid?
The IUPAC name of 2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid (CID 43241570) is 2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid.
What is the SMILES notation for 2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid?
The canonical SMILES for 2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid is COC(=O)c1occc1CSC(C)C(=O)O.
What is the InChIKey of 2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid?
The InChIKey is SUMJVVZJDJXATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5S/c1-6(9(11)12)16-5-7-3-4-15-8(7)10(13)14-2/h3-4,6H,5H2,1-2H3,(H,11,12).
What are the key properties of 2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid?
2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid has a molecular weight of 244.27 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid is sourced from PubChem (CID 43241570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).