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

C6H8N2O2S — CID 66644727

IUPAC(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid
SMILESC[C@@](N)(C(=O)O)c1nccs1
InChIInChI=1S/C6H8N2O2S/c1-6(7,5(9)10)4-8-2-3-11-4/h2-3H,7H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyDMSVGDIWEWBOGO-LURJTMIESA-N
MW172.21 g/mol
LogP0.40
Rot. Bonds2

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

(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 66644727) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is (2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid
PubChem CID66644727
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid
SMILESC[C@@](N)(C(=O)O)c1nccs1
InChIInChI=1S/C6H8N2O2S/c1-6(7,5(9)10)4-8-2-3-11-4/h2-3H,7H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyDMSVGDIWEWBOGO-LURJTMIESA-N
XLogP0.40
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
CID 130545087
2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid
CID 64990931
2-phenyl-2-(1,3-thiazol-2-yl)propanamide
CID 67042074
(2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine
CID 130857247
4-amino-3-methyl-3-(1,3-thiazol-2-yl)butanoic acid
CID 66098936
2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990854
methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 116987083
methyl 3-amino-3-(1,3-thiazol-2-yl)butanoate
CID 79848838
1-amino-2-(1,3-thiazol-2-yl)propan-2-ol
CID 45121741
2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990979
2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990809
3-anilino-3-(1,3-thiazol-2-yl)butanamide
CID 170171365

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid (CID 66644727) is (2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid is C[C@@](N)(C(=O)O)c1nccs1.
What is the InChIKey of (2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is DMSVGDIWEWBOGO-LURJTMIESA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-6(7,5(9)10)4-8-2-3-11-4/h2-3H,7H2,1H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid?
(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 172.21 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 66644727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).