ethyl (2S)-2-(5-phenylimidazol-1-yl)propanoate

C14H16N2O2 — CID 155924783

IUPACethyl (2S)-2-(5-phenylimidazol-1-yl)propanoate
SMILESCCOC(=O)[C@H](C)n1cncc1-c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-3-18-14(17)11(2)16-10-15-9-13(16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m0/s1
InChIKeyPSFNBACHNJMXGT-NSHDSACASA-N
MW244.29 g/mol
LogP2.67
Rot. Bonds4

About ethyl (2S)-2-(5-phenylimidazol-1-yl)propanoate

ethyl (2S)-2-(5-phenylimidazol-1-yl)propanoate (PubChem CID 155924783) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl (2S)-2-(5-phenylimidazol-1-yl)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(5-phenylimidazol-1-yl)propanoate
PubChem CID155924783
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl (2S)-2-(5-phenylimidazol-1-yl)propanoate
SMILESCCOC(=O)[C@H](C)n1cncc1-c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-3-18-14(17)11(2)16-10-15-9-13(16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m0/s1
InChIKeyPSFNBACHNJMXGT-NSHDSACASA-N
XLogP2.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(5-phenylimidazol-1-yl)propanoate?
The IUPAC name of ethyl (2S)-2-(5-phenylimidazol-1-yl)propanoate (CID 155924783) is ethyl (2S)-2-(5-phenylimidazol-1-yl)propanoate.
What is the SMILES notation for ethyl (2S)-2-(5-phenylimidazol-1-yl)propanoate?
The canonical SMILES for ethyl (2S)-2-(5-phenylimidazol-1-yl)propanoate is CCOC(=O)[C@H](C)n1cncc1-c1ccccc1.
What is the InChIKey of ethyl (2S)-2-(5-phenylimidazol-1-yl)propanoate?
The InChIKey is PSFNBACHNJMXGT-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-18-14(17)11(2)16-10-15-9-13(16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m0/s1.
What are the key properties of ethyl (2S)-2-(5-phenylimidazol-1-yl)propanoate?
ethyl (2S)-2-(5-phenylimidazol-1-yl)propanoate has a molecular weight of 244.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(5-phenylimidazol-1-yl)propanoate is sourced from PubChem (CID 155924783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).