[1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl] hydrogen carbonate

C15H26N2O6 — CID 91238621

IUPAC[1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl] hydrogen carbonate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1OC(=O)O
InChIInChI=1S/C15H26N2O6/c1-9(2)11(16-13(19)23-15(3,4)5)12(18)17-8-6-7-10(17)22-14(20)21/h9-11H,6-8H2,1-5H3,(H,16,19)(H,20,21)
InChIKeyPPCMBRFUTCDFHN-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.18
Rot. Bonds4

About [1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl] hydrogen carbonate

[1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl] hydrogen carbonate (PubChem CID 91238621) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is [1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl] hydrogen carbonate
PubChem CID91238621
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name[1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl] hydrogen carbonate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1OC(=O)O
InChIInChI=1S/C15H26N2O6/c1-9(2)11(16-13(19)23-15(3,4)5)12(18)17-8-6-7-10(17)22-14(20)21/h9-11H,6-8H2,1-5H3,(H,16,19)(H,20,21)
InChIKeyPPCMBRFUTCDFHN-UHFFFAOYSA-N
XLogP2.18
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl] hydrogen carbonate?
The IUPAC name of [1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl] hydrogen carbonate (CID 91238621) is [1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl] hydrogen carbonate.
What is the SMILES notation for [1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl] hydrogen carbonate?
The canonical SMILES for [1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl] hydrogen carbonate is CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1OC(=O)O.
What is the InChIKey of [1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl] hydrogen carbonate?
The InChIKey is PPCMBRFUTCDFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-9(2)11(16-13(19)23-15(3,4)5)12(18)17-8-6-7-10(17)22-14(20)21/h9-11H,6-8H2,1-5H3,(H,16,19)(H,20,21).
What are the key properties of [1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl] hydrogen carbonate?
[1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl] hydrogen carbonate has a molecular weight of 330.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl] hydrogen carbonate is sourced from PubChem (CID 91238621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).