(2S,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid

C6H9NO3 — CID 124634404

IUPAC(2S,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid
SMILESN[C@H]1C=CCO[C@@H]1C(=O)O
InChIInChI=1S/C6H9NO3/c7-4-2-1-3-10-5(4)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5-/m0/s1
InChIKeyPDQJVCHMPBCJAK-WHFBIAKZSA-N
MW143.14 g/mol
LogP-0.65
Rot. Bonds1

About (2S,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid

(2S,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid (PubChem CID 124634404) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2S,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid
PubChem CID124634404
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2S,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid
SMILESN[C@H]1C=CCO[C@@H]1C(=O)O
InChIInChI=1S/C6H9NO3/c7-4-2-1-3-10-5(4)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5-/m0/s1
InChIKeyPDQJVCHMPBCJAK-WHFBIAKZSA-N
XLogP-0.65
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid?
The IUPAC name of (2S,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid (CID 124634404) is (2S,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid.
What is the SMILES notation for (2S,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid?
The canonical SMILES for (2S,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid is N[C@H]1C=CCO[C@@H]1C(=O)O.
What is the InChIKey of (2S,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid?
The InChIKey is PDQJVCHMPBCJAK-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H9NO3/c7-4-2-1-3-10-5(4)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid?
(2S,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid is sourced from PubChem (CID 124634404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).