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

C6H10ClNO3 — CID 45262181

IUPAC(2R,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride
SMILESCl.N[C@H]1C=CCO[C@H]1C(=O)O
InChIInChI=1S/C6H9NO3.ClH/c7-4-2-1-3-10-5(4)6(8)9;/h1-2,4-5H,3,7H2,(H,8,9);1H/t4-,5+;/m0./s1
InChIKeyFMQBZCUVSVFIMV-UYXJWNHNSA-N
MW179.60 g/mol
LogP-0.22
Rot. Bonds1

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

(2R,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride (PubChem CID 45262181) has the molecular formula C6H10ClNO3 and a molecular weight of 179.60 g/mol. Its IUPAC name is (2R,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride
PubChem CID45262181
Molecular FormulaC6H10ClNO3
Molecular Weight179.60 g/mol
Exact Mass179.03
IUPAC Name(2R,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride
SMILESCl.N[C@H]1C=CCO[C@H]1C(=O)O
InChIInChI=1S/C6H9NO3.ClH/c7-4-2-1-3-10-5(4)6(8)9;/h1-2,4-5H,3,7H2,(H,8,9);1H/t4-,5+;/m0./s1
InChIKeyFMQBZCUVSVFIMV-UYXJWNHNSA-N
XLogP-0.22
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.60
LogP ≤ 5-0.22
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 (2R,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride?
The IUPAC name of (2R,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride (CID 45262181) is (2R,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride is Cl.N[C@H]1C=CCO[C@H]1C(=O)O.
What is the InChIKey of (2R,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride?
The InChIKey is FMQBZCUVSVFIMV-UYXJWNHNSA-N. The full InChI is InChI=1S/C6H9NO3.ClH/c7-4-2-1-3-10-5(4)6(8)9;/h1-2,4-5H,3,7H2,(H,8,9);1H/t4-,5+;/m0./s1.
What are the key properties of (2R,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride?
(2R,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride has a molecular weight of 179.60 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 45262181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).