(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[(5-methyl-2-oxooxolan-3-yl)amino]propanoic acid

C11H15N3O4S — CID 147911756

IUPAC(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[(5-methyl-2-oxooxolan-3-yl)amino]propanoic acid
SMILESCC1CC(N[C@@H](Cc2csc(N)n2)C(=O)O)C(=O)O1
InChIInChI=1S/C11H15N3O4S/c1-5-2-8(10(17)18-5)14-7(9(15)16)3-6-4-19-11(12)13-6/h4-5,7-8,14H,2-3H2,1H3,(H2,12,13)(H,15,16)/t5?,7-,8?/m0/s1
InChIKeyIGGSDQJXJFTQQN-CEFOYWQBSA-N
MW285.32 g/mol
LogP0.01
Rot. Bonds5

About (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[(5-methyl-2-oxooxolan-3-yl)amino]propanoic acid

(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[(5-methyl-2-oxooxolan-3-yl)amino]propanoic acid (PubChem CID 147911756) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[(5-methyl-2-oxooxolan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[(5-methyl-2-oxooxolan-3-yl)amino]propanoic acid
PubChem CID147911756
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[(5-methyl-2-oxooxolan-3-yl)amino]propanoic acid
SMILESCC1CC(N[C@@H](Cc2csc(N)n2)C(=O)O)C(=O)O1
InChIInChI=1S/C11H15N3O4S/c1-5-2-8(10(17)18-5)14-7(9(15)16)3-6-4-19-11(12)13-6/h4-5,7-8,14H,2-3H2,1H3,(H2,12,13)(H,15,16)/t5?,7-,8?/m0/s1
InChIKeyIGGSDQJXJFTQQN-CEFOYWQBSA-N
XLogP0.01
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[(5-methyl-2-oxooxolan-3-yl)amino]propanoic acid?
The IUPAC name of (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[(5-methyl-2-oxooxolan-3-yl)amino]propanoic acid (CID 147911756) is (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[(5-methyl-2-oxooxolan-3-yl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[(5-methyl-2-oxooxolan-3-yl)amino]propanoic acid?
The canonical SMILES for (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[(5-methyl-2-oxooxolan-3-yl)amino]propanoic acid is CC1CC(N[C@@H](Cc2csc(N)n2)C(=O)O)C(=O)O1.
What is the InChIKey of (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[(5-methyl-2-oxooxolan-3-yl)amino]propanoic acid?
The InChIKey is IGGSDQJXJFTQQN-CEFOYWQBSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-5-2-8(10(17)18-5)14-7(9(15)16)3-6-4-19-11(12)13-6/h4-5,7-8,14H,2-3H2,1H3,(H2,12,13)(H,15,16)/t5?,7-,8?/m0/s1.
What are the key properties of (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[(5-methyl-2-oxooxolan-3-yl)amino]propanoic acid?
(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[(5-methyl-2-oxooxolan-3-yl)amino]propanoic acid has a molecular weight of 285.32 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[(5-methyl-2-oxooxolan-3-yl)amino]propanoic acid is sourced from PubChem (CID 147911756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).