methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate

C10H17NO4 — CID 11171927

IUPACmethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate
SMILESC=C(CNC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C10H17NO4/c1-7(8(12)14-5)6-11-9(13)15-10(2,3)4/h1,6H2,2-5H3,(H,11,13)
InChIKeyZHVJHMQJIJMBLK-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.24
Rot. Bonds3

About methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate

methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate (PubChem CID 11171927) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate
PubChem CID11171927
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate
SMILESC=C(CNC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C10H17NO4/c1-7(8(12)14-5)6-11-9(13)15-10(2,3)4/h1,6H2,2-5H3,(H,11,13)
InChIKeyZHVJHMQJIJMBLK-UHFFFAOYSA-N
XLogP1.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(t-Butoxycarbonylamino)butyl metacrylate
CID 162625178
methyl (3S)-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 14064869
ethyl (E)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate
CID 102359702
1-(Methacryloyloxy)propan-2-yl-3-(methacryloyloxy)propylcarbamate
CID 129879017
ethyl (Z)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate
CID 135026048
Ethyl 3-chloro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate
CID 135043963
methyl (Z)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-tributylstannylprop-2-enoate
CID 177626573
2-[(Carbomethoxyamino)methyl]acrylic acid methyl ester
CID 14509941
3-(Methoxycarbonylamino)propyl 2-methylprop-2-enoate
CID 15208798
2-Propoxycarbonylprop-2-enylcarbamic acid
CID 20202004
1-[(2-Methylpropan-2-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 87292834
3-(Ethoxycarbonylamino)propyl 2-methylprop-2-enoate
CID 88387396

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate?
The IUPAC name of methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate (CID 11171927) is methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate is C=C(CNC(=O)OC(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate?
The InChIKey is ZHVJHMQJIJMBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(8(12)14-5)6-11-9(13)15-10(2,3)4/h1,6H2,2-5H3,(H,11,13).
What are the key properties of methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate?
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate has a molecular weight of 215.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate is sourced from PubChem (CID 11171927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).