2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate

C9H15N3O5 — CID 166799947

IUPAC2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NNC(=O)OC
InChIInChI=1S/C9H15N3O5/c1-6(2)7(13)17-5-4-10-8(14)11-12-9(15)16-3/h1,4-5H2,2-3H3,(H,12,15)(H2,10,11,14)
InChIKeyNSXLZMIIVSQQFI-UHFFFAOYSA-N
MW245.23 g/mol
LogP-0.32
Rot. Bonds4

About 2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate

2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 166799947) has the molecular formula C9H15N3O5 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate
PubChem CID166799947
Molecular FormulaC9H15N3O5
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NNC(=O)OC
InChIInChI=1S/C9H15N3O5/c1-6(2)7(13)17-5-4-10-8(14)11-12-9(15)16-3/h1,4-5H2,2-3H3,(H,12,15)(H2,10,11,14)
InChIKeyNSXLZMIIVSQQFI-UHFFFAOYSA-N
XLogP-0.32
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
2-(2-methoxypropanoylamino)ethyl 2-methylprop-2-enoate
CID 89184726
2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate
CID 158258560
[17-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]-4-oxoheptadecyl] 2-methylprop-2-enoate
CID 161284474
2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 158424500
3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate
CID 169159810
2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
CID 90228448
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925
2-[2-[2-[2-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate
CID 166530462
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735

Frequently Asked Questions

What is the IUPAC name of 2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate (CID 166799947) is 2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)NNC(=O)OC.
What is the InChIKey of 2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is NSXLZMIIVSQQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5/c1-6(2)7(13)17-5-4-10-8(14)11-12-9(15)16-3/h1,4-5H2,2-3H3,(H,12,15)(H2,10,11,14).
What are the key properties of 2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate?
2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 245.23 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 166799947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).