(2S)-2-amino-3-(furan-3-yl)propanoic acid

C7H9NO3 — CID 14797111

IUPAC(2S)-2-amino-3-(furan-3-yl)propanoic acid
SMILESN[C@@H](Cc1ccoc1)C(=O)O
InChIInChI=1S/C7H9NO3/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m0/s1
InChIKeyZAFNLUPTKPOREL-LURJTMIESA-N
MW155.15 g/mol
LogP0.23
Rot. Bonds3

About (2S)-2-amino-3-(furan-3-yl)propanoic acid

(2S)-2-amino-3-(furan-3-yl)propanoic acid (PubChem CID 14797111) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (2S)-2-amino-3-(furan-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(furan-3-yl)propanoic acid
PubChem CID14797111
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(2S)-2-amino-3-(furan-3-yl)propanoic acid
SMILESN[C@@H](Cc1ccoc1)C(=O)O
InChIInChI=1S/C7H9NO3/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m0/s1
InChIKeyZAFNLUPTKPOREL-LURJTMIESA-N
XLogP0.23
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(furan-3-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(furan-3-yl)propanoic acid (CID 14797111) is (2S)-2-amino-3-(furan-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(furan-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(furan-3-yl)propanoic acid is N[C@@H](Cc1ccoc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(furan-3-yl)propanoic acid?
The InChIKey is ZAFNLUPTKPOREL-LURJTMIESA-N. The full InChI is InChI=1S/C7H9NO3/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-(furan-3-yl)propanoic acid?
(2S)-2-amino-3-(furan-3-yl)propanoic acid has a molecular weight of 155.15 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(furan-3-yl)propanoic acid is sourced from PubChem (CID 14797111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).