ethyl (5S)-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

C15H24N2O7 — CID 11508432

IUPACethyl (5S)-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NO[C@@H](C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)C1
InChIInChI=1S/C15H24N2O7/c1-6-22-13(19)11-8-9(24-17-11)7-10(12(18)21-5)16-14(20)23-15(2,3)4/h9-10H,6-8H2,1-5H3,(H,16,20)/t9-,10-/m0/s1
InChIKeyOUDDSWLUDRGFMN-UWVGGRQHSA-N
MW344.36 g/mol
LogP1.15
Rot. Bonds6

About ethyl (5S)-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

ethyl (5S)-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-4,5-dihydro-1,2-oxazole-3-carboxylate (PubChem CID 11508432) has the molecular formula C15H24N2O7 and a molecular weight of 344.36 g/mol. Its IUPAC name is ethyl (5S)-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-4,5-dihydro-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl (5S)-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
PubChem CID11508432
Molecular FormulaC15H24N2O7
Molecular Weight344.36 g/mol
Exact Mass344.16
IUPAC Nameethyl (5S)-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NO[C@@H](C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)C1
InChIInChI=1S/C15H24N2O7/c1-6-22-13(19)11-8-9(24-17-11)7-10(12(18)21-5)16-14(20)23-15(2,3)4/h9-10H,6-8H2,1-5H3,(H,16,20)/t9-,10-/m0/s1
InChIKeyOUDDSWLUDRGFMN-UWVGGRQHSA-N
XLogP1.15
TPSA112.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (5S)-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl (5S)-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-4,5-dihydro-1,2-oxazole-3-carboxylate (CID 11508432) is ethyl (5S)-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-4,5-dihydro-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl (5S)-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl (5S)-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-4,5-dihydro-1,2-oxazole-3-carboxylate is CCOC(=O)C1=NO[C@@H](C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)C1.
What is the InChIKey of ethyl (5S)-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?
The InChIKey is OUDDSWLUDRGFMN-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H24N2O7/c1-6-22-13(19)11-8-9(24-17-11)7-10(12(18)21-5)16-14(20)23-15(2,3)4/h9-10H,6-8H2,1-5H3,(H,16,20)/t9-,10-/m0/s1.
What are the key properties of ethyl (5S)-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?
ethyl (5S)-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-4,5-dihydro-1,2-oxazole-3-carboxylate has a molecular weight of 344.36 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5S)-5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-4,5-dihydro-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 11508432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).