2-Amino-3-(thiolan-3-yl)propanoic acid hydrochloride

C7H14ClNO2S — CID 137943440

IUPAC2-amino-3-(thiolan-3-yl)propanoic acid;hydrochloride
SMILESC1CSCC1CC(C(=O)O)N.Cl
InChIInChI=1S/C7H13NO2S.ClH/c8-6(7(9)10)3-5-1-2-11-4-5;/h5-6H,1-4,8H2,(H,9,10);1H
InChIKeyAHZJTGJFXWAMBP-UHFFFAOYSA-N
MW211.71 g/mol
LogP—
Rot. Bonds3

About 2-Amino-3-(thiolan-3-yl)propanoic acid hydrochloride

2-Amino-3-(thiolan-3-yl)propanoic acid hydrochloride (PubChem CID 137943440) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 2-amino-3-(thiolan-3-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-Amino-3-(thiolan-3-yl)propanoic acid hydrochloride
PubChem CID137943440
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name2-amino-3-(thiolan-3-yl)propanoic acid;hydrochloride
SMILESC1CSCC1CC(C(=O)O)N.Cl
InChIInChI=1S/C7H13NO2S.ClH/c8-6(7(9)10)3-5-1-2-11-4-5;/h5-6H,1-4,8H2,(H,9,10);1H
InChIKeyAHZJTGJFXWAMBP-UHFFFAOYSA-N
XLogP—
TPSA88.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity151

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-Amino-3-(thiolan-3-yl)propanoic acid hydrochloride?
The IUPAC name of 2-Amino-3-(thiolan-3-yl)propanoic acid hydrochloride (CID 137943440) is 2-amino-3-(thiolan-3-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-Amino-3-(thiolan-3-yl)propanoic acid hydrochloride?
The canonical SMILES for 2-Amino-3-(thiolan-3-yl)propanoic acid hydrochloride is C1CSCC1CC(C(=O)O)N.Cl.
What is the InChIKey of 2-Amino-3-(thiolan-3-yl)propanoic acid hydrochloride?
The InChIKey is AHZJTGJFXWAMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S.ClH/c8-6(7(9)10)3-5-1-2-11-4-5;/h5-6H,1-4,8H2,(H,9,10);1H.
What are the key properties of 2-Amino-3-(thiolan-3-yl)propanoic acid hydrochloride?
2-Amino-3-(thiolan-3-yl)propanoic acid hydrochloride has a molecular weight of 211.71 g/mol, XLogP of not available, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Amino-3-(thiolan-3-yl)propanoic acid hydrochloride is sourced from PubChem (CID 137943440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).