propan-2-yl 2-(propan-2-ylamino)-3-(1-propan-2-ylimidazol-4-yl)propanoate

C15H27N3O2 — CID 580234

IUPACpropan-2-yl 2-(propan-2-ylamino)-3-(1-propan-2-ylimidazol-4-yl)propanoate
SMILESCC(C)NC(Cc1cn(C(C)C)cn1)C(=O)OC(C)C
InChIInChI=1S/C15H27N3O2/c1-10(2)17-14(15(19)20-12(5)6)7-13-8-18(9-16-13)11(3)4/h8-12,14,17H,7H2,1-6H3
InChIKeyKIOGWMAGJUQZEV-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.32
Rot. Bonds7

About propan-2-yl 2-(propan-2-ylamino)-3-(1-propan-2-ylimidazol-4-yl)propanoate

propan-2-yl 2-(propan-2-ylamino)-3-(1-propan-2-ylimidazol-4-yl)propanoate (PubChem CID 580234) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is propan-2-yl 2-(propan-2-ylamino)-3-(1-propan-2-ylimidazol-4-yl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-(propan-2-ylamino)-3-(1-propan-2-ylimidazol-4-yl)propanoate
PubChem CID580234
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Namepropan-2-yl 2-(propan-2-ylamino)-3-(1-propan-2-ylimidazol-4-yl)propanoate
SMILESCC(C)NC(Cc1cn(C(C)C)cn1)C(=O)OC(C)C
InChIInChI=1S/C15H27N3O2/c1-10(2)17-14(15(19)20-12(5)6)7-13-8-18(9-16-13)11(3)4/h8-12,14,17H,7H2,1-6H3
InChIKeyKIOGWMAGJUQZEV-UHFFFAOYSA-N
XLogP2.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(propan-2-ylamino)-3-(1-propan-2-ylimidazol-4-yl)propanoate?
The IUPAC name of propan-2-yl 2-(propan-2-ylamino)-3-(1-propan-2-ylimidazol-4-yl)propanoate (CID 580234) is propan-2-yl 2-(propan-2-ylamino)-3-(1-propan-2-ylimidazol-4-yl)propanoate.
What is the SMILES notation for propan-2-yl 2-(propan-2-ylamino)-3-(1-propan-2-ylimidazol-4-yl)propanoate?
The canonical SMILES for propan-2-yl 2-(propan-2-ylamino)-3-(1-propan-2-ylimidazol-4-yl)propanoate is CC(C)NC(Cc1cn(C(C)C)cn1)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(propan-2-ylamino)-3-(1-propan-2-ylimidazol-4-yl)propanoate?
The InChIKey is KIOGWMAGJUQZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10(2)17-14(15(19)20-12(5)6)7-13-8-18(9-16-13)11(3)4/h8-12,14,17H,7H2,1-6H3.
What are the key properties of propan-2-yl 2-(propan-2-ylamino)-3-(1-propan-2-ylimidazol-4-yl)propanoate?
propan-2-yl 2-(propan-2-ylamino)-3-(1-propan-2-ylimidazol-4-yl)propanoate has a molecular weight of 281.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(propan-2-ylamino)-3-(1-propan-2-ylimidazol-4-yl)propanoate is sourced from PubChem (CID 580234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).