4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid

C13H17NO5 — CID 66238169

IUPAC4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)CCc1ccco1)C1COCC1C(=O)O
InChIInChI=1S/C13H17NO5/c1-14(11-8-18-7-10(11)13(16)17)12(15)5-4-9-3-2-6-19-9/h2-3,6,10-11H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyHNHNMVGFKNSWEB-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.77
Rot. Bonds5

About 4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid

4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 66238169) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid
PubChem CID66238169
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)CCc1ccco1)C1COCC1C(=O)O
InChIInChI=1S/C13H17NO5/c1-14(11-8-18-7-10(11)13(16)17)12(15)5-4-9-3-2-6-19-9/h2-3,6,10-11H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyHNHNMVGFKNSWEB-UHFFFAOYSA-N
XLogP0.77
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[3-(2-methylphenyl)propanoyl]amino]oxolane-3-carboxylic acid
CID 66235536
4-[3-(4-aminophenyl)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 115341532
4-[3-(3-bromophenyl)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 66236542
4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid
CID 66238376
4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66237142
2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
CID 28778124
4-[hexanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236749
4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235946
4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253468
4-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
CID 66236759
2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
CID 62626533
2-[3-(furan-2-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 55123873

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid (CID 66238169) is 4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid is CN(C(=O)CCc1ccco1)C1COCC1C(=O)O.
What is the InChIKey of 4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is HNHNMVGFKNSWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-14(11-8-18-7-10(11)13(16)17)12(15)5-4-9-3-2-6-19-9/h2-3,6,10-11H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid?
4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).