2-amino-3-(furan-2-ylmethoxy)propanoic acid

C8H11NO4 — CID 65443764

IUPAC2-amino-3-(furan-2-ylmethoxy)propanoic acid
SMILESNC(COCc1ccco1)C(=O)O
InChIInChI=1S/C8H11NO4/c9-7(8(10)11)5-12-4-6-2-1-3-13-6/h1-3,7H,4-5,9H2,(H,10,11)
InChIKeyPXGXMDGBROZIKS-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.21
Rot. Bonds5

About 2-amino-3-(furan-2-ylmethoxy)propanoic acid

2-amino-3-(furan-2-ylmethoxy)propanoic acid (PubChem CID 65443764) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-amino-3-(furan-2-ylmethoxy)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(furan-2-ylmethoxy)propanoic acid
PubChem CID65443764
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name2-amino-3-(furan-2-ylmethoxy)propanoic acid
SMILESNC(COCc1ccco1)C(=O)O
InChIInChI=1S/C8H11NO4/c9-7(8(10)11)5-12-4-6-2-1-3-13-6/h1-3,7H,4-5,9H2,(H,10,11)
InChIKeyPXGXMDGBROZIKS-UHFFFAOYSA-N
XLogP0.21
TPSA85.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-(furan-2-ylmethoxy)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

2-ethoxy-3-(furan-2-ylmethoxy)propanoic acid
CID 63074632
3-(furan-2-ylmethoxy)propanoic acid
CID 24710839
2-fluoro-2-(furan-2-ylmethoxy)acetic acid
CID 79357493
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
2-(furan-2-ylmethoxymethyl)furan;propane-1,2,3-triol
CID 174940429
2-[2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]furan
CID 102488556
(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 97184369
(2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid
CID 68714535
1-(furan-2-yl)-2-(furan-2-ylmethoxy)ethanone
CID 62029441
(2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid
CID 165357082
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(furan-2-ylmethoxy)propanoic acid?
The IUPAC name of 2-amino-3-(furan-2-ylmethoxy)propanoic acid (CID 65443764) is 2-amino-3-(furan-2-ylmethoxy)propanoic acid.
What is the SMILES notation for 2-amino-3-(furan-2-ylmethoxy)propanoic acid?
The canonical SMILES for 2-amino-3-(furan-2-ylmethoxy)propanoic acid is NC(COCc1ccco1)C(=O)O.
What is the InChIKey of 2-amino-3-(furan-2-ylmethoxy)propanoic acid?
The InChIKey is PXGXMDGBROZIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c9-7(8(10)11)5-12-4-6-2-1-3-13-6/h1-3,7H,4-5,9H2,(H,10,11).
What are the key properties of 2-amino-3-(furan-2-ylmethoxy)propanoic acid?
2-amino-3-(furan-2-ylmethoxy)propanoic acid has a molecular weight of 185.18 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(furan-2-ylmethoxy)propanoic acid is sourced from PubChem (CID 65443764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).