methyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate

C14H15N3O3 — CID 81257262

IUPACmethyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1)C(=O)n1ccnc1
InChIInChI=1S/C14H15N3O3/c1-20-13(18)10-17(9-12-5-3-2-4-6-12)14(19)16-8-7-15-11-16/h2-8,11H,9-10H2,1H3
InChIKeySMRXQXPYHRXJHS-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.53
Rot. Bonds4

About methyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate

methyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate (PubChem CID 81257262) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate
PubChem CID81257262
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1)C(=O)n1ccnc1
InChIInChI=1S/C14H15N3O3/c1-20-13(18)10-17(9-12-5-3-2-4-6-12)14(19)16-8-7-15-11-16/h2-8,11H,9-10H2,1H3
InChIKeySMRXQXPYHRXJHS-UHFFFAOYSA-N
XLogP1.53
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]imidazole-1-carboxamide
CID 81257866
N-benzyl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
CID 81257990
methyl 2-[benzyl-(2-methyl-4-oxopentanoyl)amino]acetate
CID 11975463
methyl 2-[2-aminobutanoyl(benzyl)amino]acetate
CID 54872543
methyl 2-[[(2S)-2-amino-3-methylbutanoyl]-benzylamino]acetate
CID 61163965
3-amino-4-[benzyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid
CID 64896315
methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate
CID 79812574
methyl 2-[benzyl(but-2-enoyl)amino]acetate
CID 78919796
methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate
CID 60946952
methyl 2-[(3-amino-3-methylbutanoyl)-benzylamino]acetate
CID 64676721
methyl 2-[benzyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 59710144
methyl 2-[(4-imidazol-1-ylphenyl)methyl-methylamino]acetate
CID 60698042

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate (CID 81257262) is methyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate is COC(=O)CN(Cc1ccccc1)C(=O)n1ccnc1.
What is the InChIKey of methyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate?
The InChIKey is SMRXQXPYHRXJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-13(18)10-17(9-12-5-3-2-4-6-12)14(19)16-8-7-15-11-16/h2-8,11H,9-10H2,1H3.
What are the key properties of methyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate?
methyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate has a molecular weight of 273.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate is sourced from PubChem (CID 81257262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).