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

C6H7NO3 — CID 4564162

IUPAC2-amino-2-(furan-3-yl)acetic acid
SMILESNC(C(=O)O)c1ccoc1
InChIInChI=1S/C6H7NO3/c7-5(6(8)9)4-1-2-10-3-4/h1-3,5H,7H2,(H,8,9)
InChIKeyPGRLXLPRSSHTCN-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.36
Rot. Bonds2

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

2-amino-2-(furan-3-yl)acetic acid (PubChem CID 4564162) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-amino-2-(furan-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(furan-3-yl)acetic acid
PubChem CID4564162
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name2-amino-2-(furan-3-yl)acetic acid
SMILESNC(C(=O)O)c1ccoc1
InChIInChI=1S/C6H7NO3/c7-5(6(8)9)4-1-2-10-3-4/h1-3,5H,7H2,(H,8,9)
InChIKeyPGRLXLPRSSHTCN-UHFFFAOYSA-N
XLogP0.36
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(furan-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(furan-3-yl)acetic acid (CID 4564162) is 2-amino-2-(furan-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(furan-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(furan-3-yl)acetic acid is NC(C(=O)O)c1ccoc1.
What is the InChIKey of 2-amino-2-(furan-3-yl)acetic acid?
The InChIKey is PGRLXLPRSSHTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c7-5(6(8)9)4-1-2-10-3-4/h1-3,5H,7H2,(H,8,9).
What are the key properties of 2-amino-2-(furan-3-yl)acetic acid?
2-amino-2-(furan-3-yl)acetic acid has a molecular weight of 141.13 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(furan-3-yl)acetic acid is sourced from PubChem (CID 4564162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).