(2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid

C6H9NO3 — CID 46188742

IUPAC(2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid
SMILESN[C@H](C(=O)O)[C@@H]1C=CCO1
InChIInChI=1S/C6H9NO3/c7-5(6(8)9)4-2-1-3-10-4/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5-/m0/s1
InChIKeyPACBOIYQPQYGQE-WHFBIAKZSA-N
MW143.14 g/mol
LogP-0.65
Rot. Bonds2

About (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid

(2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid (PubChem CID 46188742) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid
PubChem CID46188742
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid
SMILESN[C@H](C(=O)O)[C@@H]1C=CCO1
InChIInChI=1S/C6H9NO3/c7-5(6(8)9)4-2-1-3-10-4/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5-/m0/s1
InChIKeyPACBOIYQPQYGQE-WHFBIAKZSA-N
XLogP-0.65
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid (CID 46188742) is (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid is N[C@H](C(=O)O)[C@@H]1C=CCO1.
What is the InChIKey of (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid?
The InChIKey is PACBOIYQPQYGQE-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H9NO3/c7-5(6(8)9)4-2-1-3-10-4/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5-/m0/s1.
What are the key properties of (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid?
(2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid has a molecular weight of 143.14 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid is sourced from PubChem (CID 46188742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).