ethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate

C11H19N3O2 — CID 61479265

IUPACethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate
SMILESCCOC(=O)CCNC(C)Cn1ccnc1
InChIInChI=1S/C11H19N3O2/c1-3-16-11(15)4-5-13-10(2)8-14-7-6-12-9-14/h6-7,9-10,13H,3-5,8H2,1-2H3
InChIKeyXQPSGUJHFYMTNS-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.81
Rot. Bonds7

About ethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate

ethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate (PubChem CID 61479265) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate
PubChem CID61479265
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate
SMILESCCOC(=O)CCNC(C)Cn1ccnc1
InChIInChI=1S/C11H19N3O2/c1-3-16-11(15)4-5-13-10(2)8-14-7-6-12-9-14/h6-7,9-10,13H,3-5,8H2,1-2H3
InChIKeyXQPSGUJHFYMTNS-UHFFFAOYSA-N
XLogP0.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide
CID 62324787
methyl 4-(1-imidazol-1-ylpropan-2-ylamino)butanoate
CID 61479528
3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide
CID 62324788
ethyl (E)-4-(1-imidazol-1-ylpropan-2-ylamino)but-2-enoate
CID 80547469
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide
CID 77030707
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
methyl (E)-4-(1-imidazol-1-ylpropan-2-ylamino)-2-methylbut-2-enoate
CID 103246742
ethyl 2-[3-imidazol-1-ylpropanoyl(propan-2-yl)amino]acetate
CID 54896305

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate?
The IUPAC name of ethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate (CID 61479265) is ethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate?
The canonical SMILES for ethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate is CCOC(=O)CCNC(C)Cn1ccnc1.
What is the InChIKey of ethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate?
The InChIKey is XQPSGUJHFYMTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-16-11(15)4-5-13-10(2)8-14-7-6-12-9-14/h6-7,9-10,13H,3-5,8H2,1-2H3.
What are the key properties of ethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate?
ethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate has a molecular weight of 225.29 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate is sourced from PubChem (CID 61479265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).