furan;methyl 2-aminopropanoate

C8H13NO3 — CID 175254406

IUPACfuran;methyl 2-aminopropanoate
SMILESCOC(=O)C(C)N.c1ccoc1
InChIInChI=1S/C4H9NO2.C4H4O/c1-3(5)4(6)7-2;1-2-4-5-3-1/h3H,5H2,1-2H3;1-4H
InChIKeyHYZVQKVIHBHKPB-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.79
Rot. Bonds1

About furan;methyl 2-aminopropanoate

furan;methyl 2-aminopropanoate (PubChem CID 175254406) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is furan;methyl 2-aminopropanoate.

Molecular Properties

Compound Namefuran;methyl 2-aminopropanoate
PubChem CID175254406
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namefuran;methyl 2-aminopropanoate
SMILESCOC(=O)C(C)N.c1ccoc1
InChIInChI=1S/C4H9NO2.C4H4O/c1-3(5)4(6)7-2;1-2-4-5-3-1/h3H,5H2,1-2H3;1-4H
InChIKeyHYZVQKVIHBHKPB-UHFFFAOYSA-N
XLogP0.79
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl (2S)-2-aminopropanoate
CID 69522243
Ethyl 2-Amino-3-(2-furanylthio)propanoate
CID 20149579
Furan-2-yl 2-aminoacetate
CID 54423798
Furan;2-methylprop-1-ene;propane-1,1-diamine
CID 67860137
Furan;methanamine
CID 68621437
Acetamide;furan
CID 68932610
(2S)-2-amino-3-methylbutanoic acid;furan
CID 70070413
furan-2-yl (2R)-2-amino-3-sulfanylpropanoate
CID 90119423
furan-2-yl (2S)-2-amino-4-methylpentanoate
CID 90119434
2-Aminobutanedioic acid;furan-2-ol
CID 90119464
bis(furan-2-yl) (2S)-2-aminobutanedioate
CID 90119465
(2S)-2-aminobutanedioic acid;furan-2-ol
CID 90119467

Frequently Asked Questions

What is the IUPAC name of furan;methyl 2-aminopropanoate?
The IUPAC name of furan;methyl 2-aminopropanoate (CID 175254406) is furan;methyl 2-aminopropanoate.
What is the SMILES notation for furan;methyl 2-aminopropanoate?
The canonical SMILES for furan;methyl 2-aminopropanoate is COC(=O)C(C)N.c1ccoc1.
What is the InChIKey of furan;methyl 2-aminopropanoate?
The InChIKey is HYZVQKVIHBHKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C4H4O/c1-3(5)4(6)7-2;1-2-4-5-3-1/h3H,5H2,1-2H3;1-4H.
What are the key properties of furan;methyl 2-aminopropanoate?
furan;methyl 2-aminopropanoate has a molecular weight of 171.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan;methyl 2-aminopropanoate is sourced from PubChem (CID 175254406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).