methyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate

C17H23N3O3 — CID 170884510

IUPACmethyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate
SMILESCCc1nccn1Cc1cc(CC(N)C(=O)OC)ccc1OC
InChIInChI=1S/C17H23N3O3/c1-4-16-19-7-8-20(16)11-13-9-12(5-6-15(13)22-2)10-14(18)17(21)23-3/h5-9,14H,4,10-11,18H2,1-3H3
InChIKeyQIUTVHDFFKLPNS-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.55
Rot. Bonds7

About methyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate

methyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate (PubChem CID 170884510) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is methyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate
PubChem CID170884510
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Namemethyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate
SMILESCCc1nccn1Cc1cc(CC(N)C(=O)OC)ccc1OC
InChIInChI=1S/C17H23N3O3/c1-4-16-19-7-8-20(16)11-13-9-12(5-6-15(13)22-2)10-14(18)17(21)23-3/h5-9,14H,4,10-11,18H2,1-3H3
InChIKeyQIUTVHDFFKLPNS-UHFFFAOYSA-N
XLogP1.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyaniline
CID 61402513
N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine
CID 62018191
methyl 3-[3-(acetyloxymethyl)-4-methoxyphenyl]-2-aminopropanoate
CID 170883870
methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
CID 170883906
methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate
CID 170884561
methyl 3-(4-acetyloxy-3-methoxyphenyl)-2-aminopropanoate
CID 170883282
[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 62018219
[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221952
methyl (2S)-2-amino-3-[4-methoxy-3-(trifluoromethyl)phenyl]propanoate
CID 95931969
4-[(2-ethylimidazol-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106791090
methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
CID 145416225
methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
CID 170884590

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate?
The IUPAC name of methyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate (CID 170884510) is methyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate?
The canonical SMILES for methyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate is CCc1nccn1Cc1cc(CC(N)C(=O)OC)ccc1OC.
What is the InChIKey of methyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate?
The InChIKey is QIUTVHDFFKLPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-16-19-7-8-20(16)11-13-9-12(5-6-15(13)22-2)10-14(18)17(21)23-3/h5-9,14H,4,10-11,18H2,1-3H3.
What are the key properties of methyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate?
methyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate has a molecular weight of 317.39 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate is sourced from PubChem (CID 170884510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).