(2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate

C10H13N3O3 — CID 67459415

IUPAC(2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(N)C(=O)n1ccnc1
InChIInChI=1S/C10H13N3O3/c1-7(2)10(15)16-5-8(11)9(14)13-4-3-12-6-13/h3-4,6,8H,1,5,11H2,2H3
InChIKeyUUKYBXHZNOKLNR-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.03
Rot. Bonds4

About (2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate

(2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate (PubChem CID 67459415) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate
PubChem CID67459415
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(N)C(=O)n1ccnc1
InChIInChI=1S/C10H13N3O3/c1-7(2)10(15)16-5-8(11)9(14)13-4-3-12-6-13/h3-4,6,8H,1,5,11H2,2H3
InChIKeyUUKYBXHZNOKLNR-UHFFFAOYSA-N
XLogP-0.03
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate
CID 67424696
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate
CID 70536973
methyl hydrogen carbonate;1-prop-1-en-2-ylimidazole
CID 174740575
1-(1-ethoxyethenyl)imidazole
CID 174806747
N-ethoxyimidazole-1-carboxamide
CID 71385822
(2S)-2-amino-1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-1-one
CID 54055858
di(imidazol-1-yl)methanone;2-methylpropyl carbonochloridate
CID 129285445
2-[[1-(3-imidazol-1-ylpropanoyloxy)-3-(2-methylprop-2-enoyloxy)propan-2-yl]oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 89309990
imidazole-1-carboxamide;propan-2-ol
CID 121360857
2,3-bis(sulfanyl)propyl 2-methylprop-2-enoate
CID 54337333
[2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate
CID 141211213

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate?
The IUPAC name of (2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate (CID 67459415) is (2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(N)C(=O)n1ccnc1.
What is the InChIKey of (2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate?
The InChIKey is UUKYBXHZNOKLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7(2)10(15)16-5-8(11)9(14)13-4-3-12-6-13/h3-4,6,8H,1,5,11H2,2H3.
What are the key properties of (2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate?
(2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate has a molecular weight of 223.23 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate is sourced from PubChem (CID 67459415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).