methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate

C10H15NO4 — CID 60925426

IUPACmethyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate
SMILESCOC(=O)CCNCC(O)c1ccco1
InChIInChI=1S/C10H15NO4/c1-14-10(13)4-5-11-7-8(12)9-3-2-6-15-9/h2-3,6,8,11-12H,4-5,7H2,1H3
InChIKeyAHYHKXVZOXSSNZ-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.47
Rot. Bonds6

About methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate

methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate (PubChem CID 60925426) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate
PubChem CID60925426
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namemethyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate
SMILESCOC(=O)CCNCC(O)c1ccco1
InChIInChI=1S/C10H15NO4/c1-14-10(13)4-5-11-7-8(12)9-3-2-6-15-9/h2-3,6,8,11-12H,4-5,7H2,1H3
InChIKeyAHYHKXVZOXSSNZ-UHFFFAOYSA-N
XLogP0.47
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate 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

1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol
CID 60969452
methyl 3-[1-(furan-2-yl)ethylamino]propanoate
CID 43139742
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901417
1-(furan-2-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanol
CID 106261262
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide
CID 110899101
1-(furan-2-yl)-2-(2-methoxyethoxyamino)ethanol
CID 82721538
methyl 4-(furan-2-yl)-4-hydroxy-2-oxobutanoate
CID 135218937
1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol
CID 106546957
methyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate
CID 86866759
methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
CID 43478962
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 111788924

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate (CID 60925426) is methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate is COC(=O)CCNCC(O)c1ccco1.
What is the InChIKey of methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate?
The InChIKey is AHYHKXVZOXSSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-14-10(13)4-5-11-7-8(12)9-3-2-6-15-9/h2-3,6,8,11-12H,4-5,7H2,1H3.
What are the key properties of methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate?
methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate has a molecular weight of 213.23 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate is sourced from PubChem (CID 60925426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).