methyl (2R)-3-(1-benzylimidazol-4-yl)-2-[ethoxycarbonyl(ethyl)amino]propanoate

C19H25N3O4 — CID 23660208

IUPACmethyl (2R)-3-(1-benzylimidazol-4-yl)-2-[ethoxycarbonyl(ethyl)amino]propanoate
SMILESCCOC(=O)N(CC)[C@H](Cc1cn(Cc2ccccc2)cn1)C(=O)OC
InChIInChI=1S/C19H25N3O4/c1-4-22(19(24)26-5-2)17(18(23)25-3)11-16-13-21(14-20-16)12-15-9-7-6-8-10-15/h6-10,13-14,17H,4-5,11-12H2,1-3H3/t17-/m1/s1
InChIKeySLNIEDGKRQNEIP-QGZVFWFLSA-N
MW359.43 g/mol
LogP2.49
Rot. Bonds8

About methyl (2R)-3-(1-benzylimidazol-4-yl)-2-[ethoxycarbonyl(ethyl)amino]propanoate

methyl (2R)-3-(1-benzylimidazol-4-yl)-2-[ethoxycarbonyl(ethyl)amino]propanoate (PubChem CID 23660208) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is methyl (2R)-3-(1-benzylimidazol-4-yl)-2-[ethoxycarbonyl(ethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(1-benzylimidazol-4-yl)-2-[ethoxycarbonyl(ethyl)amino]propanoate
PubChem CID23660208
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Namemethyl (2R)-3-(1-benzylimidazol-4-yl)-2-[ethoxycarbonyl(ethyl)amino]propanoate
SMILESCCOC(=O)N(CC)[C@H](Cc1cn(Cc2ccccc2)cn1)C(=O)OC
InChIInChI=1S/C19H25N3O4/c1-4-22(19(24)26-5-2)17(18(23)25-3)11-16-13-21(14-20-16)12-15-9-7-6-8-10-15/h6-10,13-14,17H,4-5,11-12H2,1-3H3/t17-/m1/s1
InChIKeySLNIEDGKRQNEIP-QGZVFWFLSA-N
XLogP2.49
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-3-(1-benzylimidazol-4-yl)-1-methoxy-1-oxopropan-2-yl]azanium
CID 7019739
methyl (2S)-3-(1-benzylimidazol-4-yl)-2-(ethylamino)propanoate
CID 70857209
4-[(1-benzylimidazol-4-yl)methyl]heptane-3,5-dione
CID 67276883
benzyl (2S)-2-acetamido-3-(1-benzylimidazol-4-yl)propanoate
CID 54045687
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(3,5-dimethylphenyl)-N-methylpropanamide
CID 119943430
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide;dihydrochloride
CID 119726698
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]amino]ethylamino]ethyl]-3-(1-benzylimidazol-4-yl)propanamide
CID 11827812
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(3-ethoxy-4-methoxyphenyl)propanamide
CID 119717688
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 119718202
methyl 3-[[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]amino]-2,2-dimethylpropanoate
CID 119789404
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 119729874
2-[[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]amino]-2-methylpropanoic acid
CID 178096968

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(1-benzylimidazol-4-yl)-2-[ethoxycarbonyl(ethyl)amino]propanoate?
The IUPAC name of methyl (2R)-3-(1-benzylimidazol-4-yl)-2-[ethoxycarbonyl(ethyl)amino]propanoate (CID 23660208) is methyl (2R)-3-(1-benzylimidazol-4-yl)-2-[ethoxycarbonyl(ethyl)amino]propanoate.
What is the SMILES notation for methyl (2R)-3-(1-benzylimidazol-4-yl)-2-[ethoxycarbonyl(ethyl)amino]propanoate?
The canonical SMILES for methyl (2R)-3-(1-benzylimidazol-4-yl)-2-[ethoxycarbonyl(ethyl)amino]propanoate is CCOC(=O)N(CC)[C@H](Cc1cn(Cc2ccccc2)cn1)C(=O)OC.
What is the InChIKey of methyl (2R)-3-(1-benzylimidazol-4-yl)-2-[ethoxycarbonyl(ethyl)amino]propanoate?
The InChIKey is SLNIEDGKRQNEIP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-4-22(19(24)26-5-2)17(18(23)25-3)11-16-13-21(14-20-16)12-15-9-7-6-8-10-15/h6-10,13-14,17H,4-5,11-12H2,1-3H3/t17-/m1/s1.
What are the key properties of methyl (2R)-3-(1-benzylimidazol-4-yl)-2-[ethoxycarbonyl(ethyl)amino]propanoate?
methyl (2R)-3-(1-benzylimidazol-4-yl)-2-[ethoxycarbonyl(ethyl)amino]propanoate has a molecular weight of 359.43 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(1-benzylimidazol-4-yl)-2-[ethoxycarbonyl(ethyl)amino]propanoate is sourced from PubChem (CID 23660208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).