methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate

C11H21NO4 — CID 59876258

IUPACmethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
SMILESCCC(C(=O)OC)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-7-8(9(13)15-6)12(5)10(14)16-11(2,3)4/h8H,7H2,1-6H3
InChIKeyUUGWBBAVSGXCNA-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.80
Rot. Bonds3

About methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate

methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate (PubChem CID 59876258) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
PubChem CID59876258
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
SMILESCCC(C(=O)OC)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-7-8(9(13)15-6)12(5)10(14)16-11(2,3)4/h8H,7H2,1-6H3
InChIKeyUUGWBBAVSGXCNA-UHFFFAOYSA-N
XLogP1.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The IUPAC name of methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate (CID 59876258) is methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate.
What is the SMILES notation for methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The canonical SMILES for methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate is CCC(C(=O)OC)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The InChIKey is UUGWBBAVSGXCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-7-8(9(13)15-6)12(5)10(14)16-11(2,3)4/h8H,7H2,1-6H3.
What are the key properties of methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate has a molecular weight of 231.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate is sourced from PubChem (CID 59876258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).