methyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetate

C15H25N3O6 — CID 3238116

IUPACmethyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O6/c1-15(2,3)24-14(22)17-8-11(19)18-7-5-6-10(18)13(21)16-9-12(20)23-4/h10H,5-9H2,1-4H3,(H,16,21)(H,17,22)
InChIKeyJIOXXXCCMCZGRR-UHFFFAOYSA-N
MW343.38 g/mol
LogP-0.21
Rot. Bonds5

About methyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetate

methyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetate (PubChem CID 3238116) has the molecular formula C15H25N3O6 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetate
PubChem CID3238116
Molecular FormulaC15H25N3O6
Molecular Weight343.38 g/mol
Exact Mass343.17
IUPAC Namemethyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O6/c1-15(2,3)24-14(22)17-8-11(19)18-7-5-6-10(18)13(21)16-9-12(20)23-4/h10H,5-9H2,1-4H3,(H,16,21)(H,17,22)
InChIKeyJIOXXXCCMCZGRR-UHFFFAOYSA-N
XLogP-0.21
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetate (CID 3238116) is methyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetate is COC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetate?
The InChIKey is JIOXXXCCMCZGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O6/c1-15(2,3)24-14(22)17-8-11(19)18-7-5-6-10(18)13(21)16-9-12(20)23-4/h10H,5-9H2,1-4H3,(H,16,21)(H,17,22).
What are the key properties of methyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetate?
methyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetate has a molecular weight of 343.38 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetate is sourced from PubChem (CID 3238116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).