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

C12H19N3O2 — CID 106719998

IUPACethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]propanoate
SMILESCCOC(=O)C(C)n1cnc(CNC2CC2)c1
InChIInChI=1S/C12H19N3O2/c1-3-17-12(16)9(2)15-7-11(14-8-15)6-13-10-4-5-10/h7-10,13H,3-6H2,1-2H3
InChIKeyNCRXIRIXHRTBGZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.26
Rot. Bonds6

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

ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]propanoate (PubChem CID 106719998) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]propanoate
PubChem CID106719998
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]propanoate
SMILESCCOC(=O)C(C)n1cnc(CNC2CC2)c1
InChIInChI=1S/C12H19N3O2/c1-3-17-12(16)9(2)15-7-11(14-8-15)6-13-10-4-5-10/h7-10,13H,3-6H2,1-2H3
InChIKeyNCRXIRIXHRTBGZ-UHFFFAOYSA-N
XLogP1.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate
CID 106719963
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide
CID 106720002
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanoic acid
CID 106719939
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
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
CID 106719907
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79783450
N-[[1-(2-methylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719854
ethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate
CID 106719239
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate
CID 79781152
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719730
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide
CID 106719702

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]propanoate?
The IUPAC name of ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]propanoate (CID 106719998) is ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]propanoate.
What is the SMILES notation for ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]propanoate?
The canonical SMILES for ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]propanoate is CCOC(=O)C(C)n1cnc(CNC2CC2)c1.
What is the InChIKey of ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]propanoate?
The InChIKey is NCRXIRIXHRTBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-17-12(16)9(2)15-7-11(14-8-15)6-13-10-4-5-10/h7-10,13H,3-6H2,1-2H3.
What are the key properties of ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]propanoate?
ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]propanoate has a molecular weight of 237.30 g/mol, XLogP of 1.26, 6 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]propanoate is sourced from PubChem (CID 106719998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).