tert-butyl (4S)-4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,2-dimethyl-5-oxopyrrolidine-1-carboxylate

C19H34N2O6 — CID 175424353

IUPACtert-butyl (4S)-4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,2-dimethyl-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NC(CO)C[C@H]1CC(C)(C)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C19H34N2O6/c1-17(2,3)26-15(24)20-13(11-22)9-12-10-19(7,8)21(14(12)23)16(25)27-18(4,5)6/h12-13,22H,9-11H2,1-8H3,(H,20,24)/t12-,13?/m0/s1
InChIKeyUGZBCXUUYHCFMX-UEWDXFNNSA-N
MW386.49 g/mol
LogP2.82
Rot. Bonds4

About tert-butyl (4S)-4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,2-dimethyl-5-oxopyrrolidine-1-carboxylate

tert-butyl (4S)-4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,2-dimethyl-5-oxopyrrolidine-1-carboxylate (PubChem CID 175424353) has the molecular formula C19H34N2O6 and a molecular weight of 386.49 g/mol. Its IUPAC name is tert-butyl (4S)-4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,2-dimethyl-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,2-dimethyl-5-oxopyrrolidine-1-carboxylate
PubChem CID175424353
Molecular FormulaC19H34N2O6
Molecular Weight386.49 g/mol
Exact Mass386.24
IUPAC Nametert-butyl (4S)-4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,2-dimethyl-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NC(CO)C[C@H]1CC(C)(C)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C19H34N2O6/c1-17(2,3)26-15(24)20-13(11-22)9-12-10-19(7,8)21(14(12)23)16(25)27-18(4,5)6/h12-13,22H,9-11H2,1-8H3,(H,20,24)/t12-,13?/m0/s1
InChIKeyUGZBCXUUYHCFMX-UEWDXFNNSA-N
XLogP2.82
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,2-dimethyl-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,2-dimethyl-5-oxopyrrolidine-1-carboxylate (CID 175424353) is tert-butyl (4S)-4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,2-dimethyl-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,2-dimethyl-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,2-dimethyl-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)NC(CO)C[C@H]1CC(C)(C)N(C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl (4S)-4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,2-dimethyl-5-oxopyrrolidine-1-carboxylate?
The InChIKey is UGZBCXUUYHCFMX-UEWDXFNNSA-N. The full InChI is InChI=1S/C19H34N2O6/c1-17(2,3)26-15(24)20-13(11-22)9-12-10-19(7,8)21(14(12)23)16(25)27-18(4,5)6/h12-13,22H,9-11H2,1-8H3,(H,20,24)/t12-,13?/m0/s1.
What are the key properties of tert-butyl (4S)-4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,2-dimethyl-5-oxopyrrolidine-1-carboxylate?
tert-butyl (4S)-4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,2-dimethyl-5-oxopyrrolidine-1-carboxylate has a molecular weight of 386.49 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,2-dimethyl-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 175424353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).