ethyl 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoate

C14H23N3O2 — CID 63040700

IUPACethyl 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoate
SMILESCCOC(=O)C(CCn1ccnc1CC)NC1CC1
InChIInChI=1S/C14H23N3O2/c1-3-13-15-8-10-17(13)9-7-12(14(18)19-4-2)16-11-5-6-11/h8,10-12,16H,3-7,9H2,1-2H3
InChIKeyZJNOMLBGGRHZMG-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.52
Rot. Bonds8

About ethyl 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoate

ethyl 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoate (PubChem CID 63040700) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoate
PubChem CID63040700
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoate
SMILESCCOC(=O)C(CCn1ccnc1CC)NC1CC1
InChIInChI=1S/C14H23N3O2/c1-3-13-15-8-10-17(13)9-7-12(14(18)19-4-2)16-11-5-6-11/h8,10-12,16H,3-7,9H2,1-2H3
InChIKeyZJNOMLBGGRHZMG-UHFFFAOYSA-N
XLogP1.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(ethylamino)-4-(2-ethylimidazol-1-yl)butanoate
CID 55143375
2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide
CID 63053675
ethyl 2-(cyclopropylamino)-4-(1,2,4-triazol-1-yl)butanoate
CID 63041057
ethyl 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanoate
CID 115561433
ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate
CID 63027972
ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate
CID 63027402
ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate
CID 63053623
1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-propylpentan-1-one
CID 90492731
ethyl 4-[2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetyl]piperazine-1-carboxylate
CID 90561718
ethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate
CID 55142632
ethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate
CID 64579622
ethyl 2-(cyclopropylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanoate
CID 63034367

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoate (CID 63040700) is ethyl 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoate is CCOC(=O)C(CCn1ccnc1CC)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoate?
The InChIKey is ZJNOMLBGGRHZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-13-15-8-10-17(13)9-7-12(14(18)19-4-2)16-11-5-6-11/h8,10-12,16H,3-7,9H2,1-2H3.
What are the key properties of ethyl 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoate?
ethyl 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoate has a molecular weight of 265.36 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoate is sourced from PubChem (CID 63040700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).