2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acid

C8H9NO5 — CID 6537488

IUPAC2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(CO)o1
InChIInChI=1S/C8H9NO5/c10-4-5-1-2-6(14-5)8(13)9-3-7(11)12/h1-2,10H,3-4H2,(H,9,13)(H,11,12)
InChIKeyHBULKUDERNWOBN-UHFFFAOYSA-N
MW199.16 g/mol
LogP-0.41
Rot. Bonds4

About 2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acid

2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acid (PubChem CID 6537488) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is 2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acid
PubChem CID6537488
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Name2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(CO)o1
InChIInChI=1S/C8H9NO5/c10-4-5-1-2-6(14-5)8(13)9-3-7(11)12/h1-2,10H,3-4H2,(H,9,13)(H,11,12)
InChIKeyHBULKUDERNWOBN-UHFFFAOYSA-N
XLogP-0.41
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acid (CID 6537488) is 2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(CO)o1.
What is the InChIKey of 2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acid?
The InChIKey is HBULKUDERNWOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5/c10-4-5-1-2-6(14-5)8(13)9-3-7(11)12/h1-2,10H,3-4H2,(H,9,13)(H,11,12).
What are the key properties of 2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acid?
2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acid has a molecular weight of 199.16 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 6537488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).