methyl (2R,3S)-2-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2,3-dihydropyrrole-4-carboxylate

C18H24N2O5 — CID 10948032

IUPACmethyl (2R,3S)-2-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2,3-dihydropyrrole-4-carboxylate
SMILESCOC(=O)C1=C(C)N(NC(=O)OC(C)(C)C)[C@H](O)[C@H]1c1ccccc1
InChIInChI=1S/C18H24N2O5/c1-11-13(16(22)24-5)14(12-9-7-6-8-10-12)15(21)20(11)19-17(23)25-18(2,3)4/h6-10,14-15,21H,1-5H3,(H,19,23)/t14-,15+/m0/s1
InChIKeyOHFPAJLKBVRZCU-LSDHHAIUSA-N
MW348.40 g/mol
LogP2.29
Rot. Bonds3

About methyl (2R,3S)-2-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2,3-dihydropyrrole-4-carboxylate

methyl (2R,3S)-2-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2,3-dihydropyrrole-4-carboxylate (PubChem CID 10948032) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is methyl (2R,3S)-2-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2,3-dihydropyrrole-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-2-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2,3-dihydropyrrole-4-carboxylate
PubChem CID10948032
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Namemethyl (2R,3S)-2-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2,3-dihydropyrrole-4-carboxylate
SMILESCOC(=O)C1=C(C)N(NC(=O)OC(C)(C)C)[C@H](O)[C@H]1c1ccccc1
InChIInChI=1S/C18H24N2O5/c1-11-13(16(22)24-5)14(12-9-7-6-8-10-12)15(21)20(11)19-17(23)25-18(2,3)4/h6-10,14-15,21H,1-5H3,(H,19,23)/t14-,15+/m0/s1
InChIKeyOHFPAJLKBVRZCU-LSDHHAIUSA-N
XLogP2.29
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
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tert-butyl N-[(2S)-1-oxo-1-[(5S)-2-oxo-5-phenylmorpholin-4-yl]propan-2-yl]carbamate
CID 67549916
tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-2-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2,3-dihydropyrrole-4-carboxylate?
The IUPAC name of methyl (2R,3S)-2-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2,3-dihydropyrrole-4-carboxylate (CID 10948032) is methyl (2R,3S)-2-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2,3-dihydropyrrole-4-carboxylate.
What is the SMILES notation for methyl (2R,3S)-2-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2,3-dihydropyrrole-4-carboxylate?
The canonical SMILES for methyl (2R,3S)-2-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2,3-dihydropyrrole-4-carboxylate is COC(=O)C1=C(C)N(NC(=O)OC(C)(C)C)[C@H](O)[C@H]1c1ccccc1.
What is the InChIKey of methyl (2R,3S)-2-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2,3-dihydropyrrole-4-carboxylate?
The InChIKey is OHFPAJLKBVRZCU-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-11-13(16(22)24-5)14(12-9-7-6-8-10-12)15(21)20(11)19-17(23)25-18(2,3)4/h6-10,14-15,21H,1-5H3,(H,19,23)/t14-,15+/m0/s1.
What are the key properties of methyl (2R,3S)-2-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2,3-dihydropyrrole-4-carboxylate?
methyl (2R,3S)-2-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2,3-dihydropyrrole-4-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-2-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2,3-dihydropyrrole-4-carboxylate is sourced from PubChem (CID 10948032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).