2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid

C6H8N2O3S — CID 106920713

IUPAC2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid
SMILESNC(CSc1ncco1)C(=O)O
InChIInChI=1S/C6H8N2O3S/c7-4(5(9)10)3-12-6-8-1-2-11-6/h1-2,4H,3,7H2,(H,9,10)
InChIKeyAXNZLOBMJFMFFY-UHFFFAOYSA-N
MW188.21 g/mol
LogP0.18
Rot. Bonds4

About 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid

2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid (PubChem CID 106920713) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid
PubChem CID106920713
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid
SMILESNC(CSc1ncco1)C(=O)O
InChIInChI=1S/C6H8N2O3S/c7-4(5(9)10)3-12-6-8-1-2-11-6/h1-2,4H,3,7H2,(H,9,10)
InChIKeyAXNZLOBMJFMFFY-UHFFFAOYSA-N
XLogP0.18
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 106920732
3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propanoic acid
CID 106920781
(2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol
CID 130493422
2-(2-methylpropylsulfanyl)-1,3-oxazole
CID 59202102
ethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate
CID 106924873
2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid
CID 106924884
4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
CID 106927407
2-amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 106924974
2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid
CID 65443798
2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 106924241
2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
CID 106920740
[4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol
CID 106923568

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid?
The IUPAC name of 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid (CID 106920713) is 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid?
The canonical SMILES for 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid is NC(CSc1ncco1)C(=O)O.
What is the InChIKey of 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid?
The InChIKey is AXNZLOBMJFMFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c7-4(5(9)10)3-12-6-8-1-2-11-6/h1-2,4H,3,7H2,(H,9,10).
What are the key properties of 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid?
2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid has a molecular weight of 188.21 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid is sourced from PubChem (CID 106920713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).