ethyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate

C10H15N3O3 — CID 536656

IUPACethyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate
SMILESCCOC(=O)C(Cc1cnc[nH]1)NC(C)=O
InChIInChI=1S/C10H15N3O3/c1-3-16-10(15)9(13-7(2)14)4-8-5-11-6-12-8/h5-6,9H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyAHEBYLFDBKDLJZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.02
Rot. Bonds5

About ethyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate

ethyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate (PubChem CID 536656) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate
PubChem CID536656
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate
SMILESCCOC(=O)C(Cc1cnc[nH]1)NC(C)=O
InChIInChI=1S/C10H15N3O3/c1-3-16-10(15)9(13-7(2)14)4-8-5-11-6-12-8/h5-6,9H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyAHEBYLFDBKDLJZ-UHFFFAOYSA-N
XLogP0.02
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate?
The IUPAC name of ethyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate (CID 536656) is ethyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate.
What is the SMILES notation for ethyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate?
The canonical SMILES for ethyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate is CCOC(=O)C(Cc1cnc[nH]1)NC(C)=O.
What is the InChIKey of ethyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate?
The InChIKey is AHEBYLFDBKDLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-16-10(15)9(13-7(2)14)4-8-5-11-6-12-8/h5-6,9H,3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of ethyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate?
ethyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 225.25 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 536656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).