2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid

C11H15NO5 — CID 81077617

IUPAC2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid
SMILESCCc1ccc(C(=O)NC(COC)C(=O)O)o1
InChIInChI=1S/C11H15NO5/c1-3-7-4-5-9(17-7)10(13)12-8(6-16-2)11(14)15/h4-5,8H,3,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyAFWCRTOEIUNCPL-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.67
Rot. Bonds6

About 2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid

2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid (PubChem CID 81077617) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid
PubChem CID81077617
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid
SMILESCCc1ccc(C(=O)NC(COC)C(=O)O)o1
InChIInChI=1S/C11H15NO5/c1-3-7-4-5-9(17-7)10(13)12-8(6-16-2)11(14)15/h4-5,8H,3,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyAFWCRTOEIUNCPL-UHFFFAOYSA-N
XLogP0.67
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic 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

(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 93054886
6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid
CID 65285809
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 61143786
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid
CID 119223716
3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351348
2-[[4-(2-aminoethyl)benzoyl]amino]-3-methoxypropanoic acid
CID 81077743
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]butanoic acid
CID 43469217
N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide
CID 113272304
2-[(4-bromobenzoyl)amino]-3-methoxypropanoic acid
CID 81076799
3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 81077472

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid (CID 81077617) is 2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid is CCc1ccc(C(=O)NC(COC)C(=O)O)o1.
What is the InChIKey of 2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid?
The InChIKey is AFWCRTOEIUNCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-3-7-4-5-9(17-7)10(13)12-8(6-16-2)11(14)15/h4-5,8H,3,6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid?
2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid has a molecular weight of 241.24 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81077617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).