2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one

C6H9NO5 — CID 54717306

IUPAC2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one
SMILESNCC(O)C1OC(=O)C(O)=C1O
InChIInChI=1S/C6H9NO5/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,8-10H,1,7H2
InChIKeyNWWNMEXBDCKKIG-UHFFFAOYSA-N
MW175.14 g/mol
LogP-1.44
Rot. Bonds2

About 2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one

2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one (PubChem CID 54717306) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is 2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one
PubChem CID54717306
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one
SMILESNCC(O)C1OC(=O)C(O)=C1O
InChIInChI=1S/C6H9NO5/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,8-10H,1,7H2
InChIKeyNWWNMEXBDCKKIG-UHFFFAOYSA-N
XLogP-1.44
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of 2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one (CID 54717306) is 2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for 2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for 2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one is NCC(O)C1OC(=O)C(O)=C1O.
What is the InChIKey of 2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is NWWNMEXBDCKKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO5/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,8-10H,1,7H2.
What are the key properties of 2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one?
2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 175.14 g/mol, XLogP of -1.44, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 54717306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).