(2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid

C6H8N2O2S — CID 7017952

IUPAC(2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid
SMILESN[C@@H](Cc1nccs1)C(=O)O
InChIInChI=1S/C6H8N2O2S/c7-4(6(9)10)3-5-8-1-2-11-5/h1-2,4H,3,7H2,(H,9,10)/t4-/m0/s1
InChIKeyPXFXXRSFSGRBRT-BYPYZUCNSA-N
MW172.21 g/mol
LogP0.10
Rot. Bonds3

About (2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid

(2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 7017952) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is (2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid
PubChem CID7017952
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name(2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid
SMILESN[C@@H](Cc1nccs1)C(=O)O
InChIInChI=1S/C6H8N2O2S/c7-4(6(9)10)3-5-8-1-2-11-5/h1-2,4H,3,7H2,(H,9,10)/t4-/m0/s1
InChIKeyPXFXXRSFSGRBRT-BYPYZUCNSA-N
XLogP0.10
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid (CID 7017952) is (2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid is N[C@@H](Cc1nccs1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is PXFXXRSFSGRBRT-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8N2O2S/c7-4(6(9)10)3-5-8-1-2-11-5/h1-2,4H,3,7H2,(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid?
(2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 172.21 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 7017952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).