(2R)-2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid

C6H10N2O2S — CID 155516242

IUPAC(2R)-2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid
SMILESC[C@@H](C(=O)O)[C@@H]1CSC(N)=N1
InChIInChI=1S/C6H10N2O2S/c1-3(5(9)10)4-2-11-6(7)8-4/h3-4H,2H2,1H3,(H2,7,8)(H,9,10)/t3-,4+/m1/s1
InChIKeyHQCCRLRYTXVTRA-DMTCNVIQSA-N
MW174.22 g/mol
LogP0.14
Rot. Bonds2

About (2R)-2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid

(2R)-2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid (PubChem CID 155516242) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is (2R)-2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid
PubChem CID155516242
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name(2R)-2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid
SMILESC[C@@H](C(=O)O)[C@@H]1CSC(N)=N1
InChIInChI=1S/C6H10N2O2S/c1-3(5(9)10)4-2-11-6(7)8-4/h3-4H,2H2,1H3,(H2,7,8)(H,9,10)/t3-,4+/m1/s1
InChIKeyHQCCRLRYTXVTRA-DMTCNVIQSA-N
XLogP0.14
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of (2R)-2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid (CID 155516242) is (2R)-2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid is C[C@@H](C(=O)O)[C@@H]1CSC(N)=N1.
What is the InChIKey of (2R)-2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is HQCCRLRYTXVTRA-DMTCNVIQSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-3(5(9)10)4-2-11-6(7)8-4/h3-4H,2H2,1H3,(H2,7,8)(H,9,10)/t3-,4+/m1/s1.
What are the key properties of (2R)-2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid?
(2R)-2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 174.22 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 155516242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).