methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

C10H19NO4 — CID 10703983

IUPACmethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11(4)7-6-8(12)14-5/h6-7H2,1-5H3
InChIKeyQAIYFGAVROBBNI-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.42
Rot. Bonds3

About methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 10703983) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID10703983
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11(4)7-6-8(12)14-5/h6-7H2,1-5H3
InChIKeyQAIYFGAVROBBNI-UHFFFAOYSA-N
XLogP1.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 10703983) is methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is COC(=O)CCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is QAIYFGAVROBBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11(4)7-6-8(12)14-5/h6-7H2,1-5H3.
What are the key properties of methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 217.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 10703983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).