(ethoxycarbonylamino) 3-(ethoxycarbonylamino)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate

C14H20N2O8 — CID 174634247

IUPAC(ethoxycarbonylamino) 3-(ethoxycarbonylamino)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate
SMILESC=C(C)C(=O)OC(NC(=O)OCC)=C(C)C(=O)ONC(=O)OCC
InChIInChI=1S/C14H20N2O8/c1-6-21-13(19)15-10(23-11(17)8(3)4)9(5)12(18)24-16-14(20)22-7-2/h3,6-7H2,1-2,4-5H3,(H,15,19)(H,16,20)
InChIKeyBUNGOERNRNNPTG-UHFFFAOYSA-N
MW344.32 g/mol
LogP1.29
Rot. Bonds6

About (ethoxycarbonylamino) 3-(ethoxycarbonylamino)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate

(ethoxycarbonylamino) 3-(ethoxycarbonylamino)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate (PubChem CID 174634247) has the molecular formula C14H20N2O8 and a molecular weight of 344.32 g/mol. Its IUPAC name is (ethoxycarbonylamino) 3-(ethoxycarbonylamino)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate.

Molecular Properties

Compound Name(ethoxycarbonylamino) 3-(ethoxycarbonylamino)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate
PubChem CID174634247
Molecular FormulaC14H20N2O8
Molecular Weight344.32 g/mol
Exact Mass344.12
IUPAC Name(ethoxycarbonylamino) 3-(ethoxycarbonylamino)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate
SMILESC=C(C)C(=O)OC(NC(=O)OCC)=C(C)C(=O)ONC(=O)OCC
InChIInChI=1S/C14H20N2O8/c1-6-21-13(19)15-10(23-11(17)8(3)4)9(5)12(18)24-16-14(20)22-7-2/h3,6-7H2,1-2,4-5H3,(H,15,19)(H,16,20)
InChIKeyBUNGOERNRNNPTG-UHFFFAOYSA-N
XLogP1.29
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(ethoxycarbonylamino) 2,3-dimethylbut-2-enoate
CID 87102957
ethyl 2-methylprop-2-enoate
CID 130475774
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
methyl 3-(ethoxycarbonylamino)-2-methylbut-2-enoate
CID 173031659
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
2-(ethoxycarbonylamino)prop-2-enoic acid;polane
CID 173396232
cyanic acid;ethyl 2-methylprop-2-enoate
CID 172737974
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
cobalt;ethyl N-(ethoxycarbonylcarbamoyl)carbamate
CID 160975753

Frequently Asked Questions

What is the IUPAC name of (ethoxycarbonylamino) 3-(ethoxycarbonylamino)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate?
The IUPAC name of (ethoxycarbonylamino) 3-(ethoxycarbonylamino)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate (CID 174634247) is (ethoxycarbonylamino) 3-(ethoxycarbonylamino)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate.
What is the SMILES notation for (ethoxycarbonylamino) 3-(ethoxycarbonylamino)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate?
The canonical SMILES for (ethoxycarbonylamino) 3-(ethoxycarbonylamino)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate is C=C(C)C(=O)OC(NC(=O)OCC)=C(C)C(=O)ONC(=O)OCC.
What is the InChIKey of (ethoxycarbonylamino) 3-(ethoxycarbonylamino)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate?
The InChIKey is BUNGOERNRNNPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O8/c1-6-21-13(19)15-10(23-11(17)8(3)4)9(5)12(18)24-16-14(20)22-7-2/h3,6-7H2,1-2,4-5H3,(H,15,19)(H,16,20).
What are the key properties of (ethoxycarbonylamino) 3-(ethoxycarbonylamino)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate?
(ethoxycarbonylamino) 3-(ethoxycarbonylamino)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate has a molecular weight of 344.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (ethoxycarbonylamino) 3-(ethoxycarbonylamino)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate is sourced from PubChem (CID 174634247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).