2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate

C10H13N3O3 — CID 67424696

IUPAC2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)n1ccnc1
InChIInChI=1S/C10H13N3O3/c1-8(2)9(14)16-6-4-12-10(15)13-5-3-11-7-13/h3,5,7H,1,4,6H2,2H3,(H,12,15)
InChIKeyKRFWTVIQLLYECF-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.56
Rot. Bonds4

About 2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate

2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate (PubChem CID 67424696) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate
PubChem CID67424696
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)n1ccnc1
InChIInChI=1S/C10H13N3O3/c1-8(2)9(14)16-6-4-12-10(15)13-5-3-11-7-13/h3,5,7H,1,4,6H2,2H3,(H,12,15)
InChIKeyKRFWTVIQLLYECF-UHFFFAOYSA-N
XLogP0.56
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
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'}

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Related Compounds

(2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate
CID 67459415
N-(2-sulfanylethyl)imidazole-1-carboxamide
CID 58107367
N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide
CID 43546302
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
2-[[1-(3-imidazol-1-ylpropanoyloxy)-3-(2-methylprop-2-enoyloxy)propan-2-yl]oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 89309990
1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate
CID 70536973
2-[[5-[1-(2,3-dimethylphenyl)ethyl]imidazole-1-carbonyl]amino]ethyl 2-methylprop-2-enoate
CID 163265487
tert-butyl (2S)-5-(imidazole-1-carbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 10571966
2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
CID 90228448
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
methyl hydrogen carbonate;1-prop-1-en-2-ylimidazole
CID 174740575
N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide
CID 102908387

Frequently Asked Questions

What is the IUPAC name of 2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate (CID 67424696) is 2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)n1ccnc1.
What is the InChIKey of 2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is KRFWTVIQLLYECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-8(2)9(14)16-6-4-12-10(15)13-5-3-11-7-13/h3,5,7H,1,4,6H2,2H3,(H,12,15).
What are the key properties of 2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate?
2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 223.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 67424696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).