ethyl 2-[cyclopropyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]acetate

C14H23N3O2 — CID 66152510

IUPACethyl 2-[cyclopropyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1cncn1C(C)C)C1CC1
InChIInChI=1S/C14H23N3O2/c1-4-19-14(18)9-16(12-5-6-12)8-13-7-15-10-17(13)11(2)3/h7,10-12H,4-6,8-9H2,1-3H3
InChIKeyFAAHZRVAAWNZMB-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.99
Rot. Bonds7

About ethyl 2-[cyclopropyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]acetate

ethyl 2-[cyclopropyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]acetate (PubChem CID 66152510) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]acetate
PubChem CID66152510
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 2-[cyclopropyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1cncn1C(C)C)C1CC1
InChIInChI=1S/C14H23N3O2/c1-4-19-14(18)9-16(12-5-6-12)8-13-7-15-10-17(13)11(2)3/h7,10-12H,4-6,8-9H2,1-3H3
InChIKeyFAAHZRVAAWNZMB-UHFFFAOYSA-N
XLogP1.99
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]acetate (CID 66152510) is ethyl 2-[cyclopropyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]acetate is CCOC(=O)CN(Cc1cncn1C(C)C)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]acetate?
The InChIKey is FAAHZRVAAWNZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-19-14(18)9-16(12-5-6-12)8-13-7-15-10-17(13)11(2)3/h7,10-12H,4-6,8-9H2,1-3H3.
What are the key properties of ethyl 2-[cyclopropyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]acetate?
ethyl 2-[cyclopropyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]acetate has a molecular weight of 265.36 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]acetate is sourced from PubChem (CID 66152510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).