2-amino-3-(furan-3-yl)-3-hydroxypropanoic acid

C7H9NO4 — CID 66207169

IUPAC2-amino-3-(furan-3-yl)-3-hydroxypropanoic acid
SMILESNC(C(=O)O)C(O)c1ccoc1
InChIInChI=1S/C7H9NO4/c8-5(7(10)11)6(9)4-1-2-12-3-4/h1-3,5-6,9H,8H2,(H,10,11)
InChIKeyDDHMZWZGNOVSLF-UHFFFAOYSA-N
MW171.15 g/mol
LogP-0.28
Rot. Bonds3

About 2-amino-3-(furan-3-yl)-3-hydroxypropanoic acid

2-amino-3-(furan-3-yl)-3-hydroxypropanoic acid (PubChem CID 66207169) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 2-amino-3-(furan-3-yl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-amino-3-(furan-3-yl)-3-hydroxypropanoic acid
PubChem CID66207169
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name2-amino-3-(furan-3-yl)-3-hydroxypropanoic acid
SMILESNC(C(=O)O)C(O)c1ccoc1
InChIInChI=1S/C7H9NO4/c8-5(7(10)11)6(9)4-1-2-12-3-4/h1-3,5-6,9H,8H2,(H,10,11)
InChIKeyDDHMZWZGNOVSLF-UHFFFAOYSA-N
XLogP-0.28
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(furan-3-yl)-3-hydroxypropanoic acid?
The IUPAC name of 2-amino-3-(furan-3-yl)-3-hydroxypropanoic acid (CID 66207169) is 2-amino-3-(furan-3-yl)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-amino-3-(furan-3-yl)-3-hydroxypropanoic acid?
The canonical SMILES for 2-amino-3-(furan-3-yl)-3-hydroxypropanoic acid is NC(C(=O)O)C(O)c1ccoc1.
What is the InChIKey of 2-amino-3-(furan-3-yl)-3-hydroxypropanoic acid?
The InChIKey is DDHMZWZGNOVSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c8-5(7(10)11)6(9)4-1-2-12-3-4/h1-3,5-6,9H,8H2,(H,10,11).
What are the key properties of 2-amino-3-(furan-3-yl)-3-hydroxypropanoic acid?
2-amino-3-(furan-3-yl)-3-hydroxypropanoic acid has a molecular weight of 171.15 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(furan-3-yl)-3-hydroxypropanoic acid is sourced from PubChem (CID 66207169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).