ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate

C14H21N5O2 — CID 11197077

IUPACethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1nccn1C)Cc1nccn1C
InChIInChI=1S/C14H21N5O2/c1-4-21-14(20)11-19(9-12-15-5-7-17(12)2)10-13-16-6-8-18(13)3/h5-8H,4,9-11H2,1-3H3
InChIKeyVMSXXAJWEURAQM-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.72
Rot. Bonds7

About ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate

ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate (PubChem CID 11197077) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate
PubChem CID11197077
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Nameethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1nccn1C)Cc1nccn1C
InChIInChI=1S/C14H21N5O2/c1-4-21-14(20)11-19(9-12-15-5-7-17(12)2)10-13-16-6-8-18(13)3/h5-8H,4,9-11H2,1-3H3
InChIKeyVMSXXAJWEURAQM-UHFFFAOYSA-N
XLogP0.72
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate?
The IUPAC name of ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate (CID 11197077) is ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate?
The canonical SMILES for ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate is CCOC(=O)CN(Cc1nccn1C)Cc1nccn1C.
What is the InChIKey of ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate?
The InChIKey is VMSXXAJWEURAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-4-21-14(20)11-19(9-12-15-5-7-17(12)2)10-13-16-6-8-18(13)3/h5-8H,4,9-11H2,1-3H3.
What are the key properties of ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate?
ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate has a molecular weight of 291.36 g/mol, XLogP of 0.72, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate is sourced from PubChem (CID 11197077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).