2-amino-3-(1,2-oxazol-4-ylmethylsulfanyl)propanoic acid

C7H10N2O3S — CID 60869400

IUPAC2-amino-3-(1,2-oxazol-4-ylmethylsulfanyl)propanoic acid
SMILESNC(CSCc1cnoc1)C(=O)O
InChIInChI=1S/C7H10N2O3S/c8-6(7(10)11)4-13-3-5-1-9-12-2-5/h1-2,6H,3-4,8H2,(H,10,11)
InChIKeyOBZQZNQTIXULOP-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.32
Rot. Bonds5

About 2-amino-3-(1,2-oxazol-4-ylmethylsulfanyl)propanoic acid

2-amino-3-(1,2-oxazol-4-ylmethylsulfanyl)propanoic acid (PubChem CID 60869400) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-amino-3-(1,2-oxazol-4-ylmethylsulfanyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1,2-oxazol-4-ylmethylsulfanyl)propanoic acid
PubChem CID60869400
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name2-amino-3-(1,2-oxazol-4-ylmethylsulfanyl)propanoic acid
SMILESNC(CSCc1cnoc1)C(=O)O
InChIInChI=1S/C7H10N2O3S/c8-6(7(10)11)4-13-3-5-1-9-12-2-5/h1-2,6H,3-4,8H2,(H,10,11)
InChIKeyOBZQZNQTIXULOP-UHFFFAOYSA-N
XLogP0.32
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-[(4-bromophenyl)methylsulfanyl]propanoic acid
CID 3289293
(2S)-2-amino-3-(quinolin-3-ylmethylsulfanyl)propanoic acid
CID 114203513
(2S)-2-amino-3-(1,3-thiazol-5-ylmethylsulfanyl)propanoic acid
CID 107773520
(2R)-2-amino-3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)propanoic acid
CID 61141696
(2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid
CID 107773244
(2R)-2-amino-3-[(4-propylphenyl)methylsulfanyl]propanoic acid
CID 15453666
(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfanyl]propanoic acid
CID 7009563
(2S)-2-amino-3-[(5-bromothiophen-3-yl)methylsulfanyl]propanoic acid
CID 107773669
2-amino-3-[(6-chloro-2-pyridinyl)methylsulfanyl]propanoic acid
CID 79240904
2-amino-3-[(4-methoxycarbonylphenyl)methylsulfanyl]propanoic acid
CID 43085414
3-(1,2-oxazol-4-yl)propanoic acid
CID 23006336
(2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid
CID 36690947

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,2-oxazol-4-ylmethylsulfanyl)propanoic acid?
The IUPAC name of 2-amino-3-(1,2-oxazol-4-ylmethylsulfanyl)propanoic acid (CID 60869400) is 2-amino-3-(1,2-oxazol-4-ylmethylsulfanyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1,2-oxazol-4-ylmethylsulfanyl)propanoic acid?
The canonical SMILES for 2-amino-3-(1,2-oxazol-4-ylmethylsulfanyl)propanoic acid is NC(CSCc1cnoc1)C(=O)O.
What is the InChIKey of 2-amino-3-(1,2-oxazol-4-ylmethylsulfanyl)propanoic acid?
The InChIKey is OBZQZNQTIXULOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c8-6(7(10)11)4-13-3-5-1-9-12-2-5/h1-2,6H,3-4,8H2,(H,10,11).
What are the key properties of 2-amino-3-(1,2-oxazol-4-ylmethylsulfanyl)propanoic acid?
2-amino-3-(1,2-oxazol-4-ylmethylsulfanyl)propanoic acid has a molecular weight of 202.23 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,2-oxazol-4-ylmethylsulfanyl)propanoic acid is sourced from PubChem (CID 60869400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).