ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate

C14H23N3O2 — CID 106719963

IUPACethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate
SMILESCCCC(C(=O)OCC)n1cnc(CNC2CC2)c1
InChIInChI=1S/C14H23N3O2/c1-3-5-13(14(18)19-4-2)17-9-12(16-10-17)8-15-11-6-7-11/h9-11,13,15H,3-8H2,1-2H3
InChIKeyTZQUZWBECLCMTB-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.04
Rot. Bonds8

About ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate

ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate (PubChem CID 106719963) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate
PubChem CID106719963
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate
SMILESCCCC(C(=O)OCC)n1cnc(CNC2CC2)c1
InChIInChI=1S/C14H23N3O2/c1-3-5-13(14(18)19-4-2)17-9-12(16-10-17)8-15-11-6-7-11/h9-11,13,15H,3-8H2,1-2H3
InChIKeyTZQUZWBECLCMTB-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]propanoate
CID 106719998
ethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate
CID 106719239
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide
CID 106720002
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanoic acid
CID 106719939
ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate
CID 83039881
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
CID 106719907
N-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114204681
N-[[1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114204166
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79783450
ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate
CID 62847535
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate
CID 79781152
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719730

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate?
The IUPAC name of ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate (CID 106719963) is ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate.
What is the SMILES notation for ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate?
The canonical SMILES for ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate is CCCC(C(=O)OCC)n1cnc(CNC2CC2)c1.
What is the InChIKey of ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate?
The InChIKey is TZQUZWBECLCMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-5-13(14(18)19-4-2)17-9-12(16-10-17)8-15-11-6-7-11/h9-11,13,15H,3-8H2,1-2H3.
What are the key properties of ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate?
ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate has a molecular weight of 265.36 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate is sourced from PubChem (CID 106719963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).