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

C11H18N2O5 — CID 15383872

IUPACmethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoate
SMILESC=C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C11H18N2O5/c1-7(9(15)17-5)13-8(14)6-12-10(16)18-11(2,3)4/h1,6H2,2-5H3,(H,12,16)(H,13,14)
InChIKeyRLTJINFZQCECSP-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.31
Rot. Bonds4

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

methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoate (PubChem CID 15383872) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoate
PubChem CID15383872
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Namemethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoate
SMILESC=C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C11H18N2O5/c1-7(9(15)17-5)13-8(14)6-12-10(16)18-11(2,3)4/h1,6H2,2-5H3,(H,12,16)(H,13,14)
InChIKeyRLTJINFZQCECSP-UHFFFAOYSA-N
XLogP0.31
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoate with MolForge

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Related Compounds

Tert-butoxycarbonylglycyl-dehydroalanyl-glycine methyl ester
CID 139060044
2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoic acid
CID 86216151
1-O-tert-butyl 5-O-methyl 4-acetyl-2,3-dihydropyrazine-1,5-dicarboxylate
CID 11822164
methyl (Z)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]but-2-enoate
CID 24756037
methyl (E)-3-bromo-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]but-2-enoate
CID 24756040
N-(tert-Butoxycarbonyl)glycyl-(Z)-beta-bromodehydroalanine methyl ester
CID 139087150
Methyl 3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 7127177
methyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]prop-2-enoate
CID 10492395
methyl (E)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 10608747
Methyl 2-((tert-butoxycarbonyl)amino)-3-(dimethylamino)acrylate
CID 10634040
Ethyl 1-tert-butoxycarbonyl-1,4,5,6-tetrahydropyrazinecarboxylate
CID 11128927
methyl 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]prop-2-enoate
CID 53259140

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoate?
The IUPAC name of methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoate (CID 15383872) is methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoate.
What is the SMILES notation for methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoate?
The canonical SMILES for methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoate is C=C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoate?
The InChIKey is RLTJINFZQCECSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-7(9(15)17-5)13-8(14)6-12-10(16)18-11(2,3)4/h1,6H2,2-5H3,(H,12,16)(H,13,14).
What are the key properties of methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoate?
methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoate has a molecular weight of 258.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoate is sourced from PubChem (CID 15383872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).