ethyl 2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetate

C15H23N3O5S — CID 129010826

IUPACethyl 2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H23N3O5S/c1-6-22-11(19)7-10-8-24-13(17-10)18-12(20)9(2)16-14(21)23-15(3,4)5/h8-9H,6-7H2,1-5H3,(H,16,21)(H,17,18,20)/t9-/m0/s1
InChIKeySHJWCIURKKIVKF-VIFPVBQESA-N
MW357.43 g/mol
LogP2.10
Rot. Bonds6

About ethyl 2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 129010826) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is ethyl 2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID129010826
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC Nameethyl 2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H23N3O5S/c1-6-22-11(19)7-10-8-24-13(17-10)18-12(20)9(2)16-14(21)23-15(3,4)5/h8-9H,6-7H2,1-5H3,(H,16,21)(H,17,18,20)/t9-/m0/s1
InChIKeySHJWCIURKKIVKF-VIFPVBQESA-N
XLogP2.10
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetate (CID 129010826) is ethyl 2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)n1.
What is the InChIKey of ethyl 2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is SHJWCIURKKIVKF-VIFPVBQESA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-6-22-11(19)7-10-8-24-13(17-10)18-12(20)9(2)16-14(21)23-15(3,4)5/h8-9H,6-7H2,1-5H3,(H,16,21)(H,17,18,20)/t9-/m0/s1.
What are the key properties of ethyl 2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 357.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 129010826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).