2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid

C11H17N3O4S — CID 43440631

IUPAC2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid
SMILESCC(C)c1cc(NC(=O)CSCC(N)C(=O)O)on1
InChIInChI=1S/C11H17N3O4S/c1-6(2)8-3-10(18-14-8)13-9(15)5-19-4-7(12)11(16)17/h3,6-7H,4-5,12H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyZQGINDHLWWHLHF-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.88
Rot. Bonds7

About 2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid

2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid (PubChem CID 43440631) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid
PubChem CID43440631
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid
SMILESCC(C)c1cc(NC(=O)CSCC(N)C(=O)O)on1
InChIInChI=1S/C11H17N3O4S/c1-6(2)8-3-10(18-14-8)13-9(15)5-19-4-7(12)11(16)17/h3,6-7H,4-5,12H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyZQGINDHLWWHLHF-UHFFFAOYSA-N
XLogP0.88
TPSA118.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid with MolForge

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Related Compounds

3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 43238022
(2S)-2-amino-3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 93031229
(2R)-2-amino-3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61141655
2-(4-aminobutan-2-ylsulfanyl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 66227895
2-(3-aminophenyl)sulfanyl-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 79134132
N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 89054004
2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 66232131
[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] N-(diaminomethylidene)carbamimidothioate
CID 83083553
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 51140531
2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 79682116
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 78964549
3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid
CID 60840529

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid?
The IUPAC name of 2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid (CID 43440631) is 2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid.
What is the SMILES notation for 2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid?
The canonical SMILES for 2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid is CC(C)c1cc(NC(=O)CSCC(N)C(=O)O)on1.
What is the InChIKey of 2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid?
The InChIKey is ZQGINDHLWWHLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-6(2)8-3-10(18-14-8)13-9(15)5-19-4-7(12)11(16)17/h3,6-7H,4-5,12H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid?
2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid has a molecular weight of 287.34 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid is sourced from PubChem (CID 43440631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).