ethyl (2S)-2-[[(2S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxopropan-2-yl]amino]pentanoate

C15H24N4O6 — CID 24758242

IUPACethyl (2S)-2-[[(2S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxopropan-2-yl]amino]pentanoate
SMILESCCC[C@H](N[C@@H](C)C(=O)Oc1nc(OC)nc(OC)n1)C(=O)OCC
InChIInChI=1S/C15H24N4O6/c1-6-8-10(12(21)24-7-2)16-9(3)11(20)25-15-18-13(22-4)17-14(19-15)23-5/h9-10,16H,6-8H2,1-5H3/t9-,10-/m0/s1
InChIKeyFSOVWPRHTRBIJX-UWVGGRQHSA-N
MW356.38 g/mol
LogP0.50
Rot. Bonds10

About ethyl (2S)-2-[[(2S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxopropan-2-yl]amino]pentanoate

ethyl (2S)-2-[[(2S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxopropan-2-yl]amino]pentanoate (PubChem CID 24758242) has the molecular formula C15H24N4O6 and a molecular weight of 356.38 g/mol. Its IUPAC name is ethyl (2S)-2-[[(2S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxopropan-2-yl]amino]pentanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[(2S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxopropan-2-yl]amino]pentanoate
PubChem CID24758242
Molecular FormulaC15H24N4O6
Molecular Weight356.38 g/mol
Exact Mass356.17
IUPAC Nameethyl (2S)-2-[[(2S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxopropan-2-yl]amino]pentanoate
SMILESCCC[C@H](N[C@@H](C)C(=O)Oc1nc(OC)nc(OC)n1)C(=O)OCC
InChIInChI=1S/C15H24N4O6/c1-6-8-10(12(21)24-7-2)16-9(3)11(20)25-15-18-13(22-4)17-14(19-15)23-5/h9-10,16H,6-8H2,1-5H3/t9-,10-/m0/s1
InChIKeyFSOVWPRHTRBIJX-UWVGGRQHSA-N
XLogP0.50
TPSA121.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl (2S)-2-[[(2S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxopropan-2-yl]amino]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(1-chloro-1-oxopropan-2-yl)amino]pentanoate
CID 58903047
(2S)-2-[[(2R)-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
CID 41092480
2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoic acid
CID 13258848
ethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate
CID 59838569
ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate
CID 69028409
ethyl 2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 57110707
ethyl 2-(2-methylpropylamino)pentanoate
CID 61001695
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl 2-(6-methylheptan-2-ylamino)pentanoate
CID 83041097
ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanoate
CID 83041514
ethyl 2-(pent-4-en-2-ylamino)pentanoate
CID 115663777
(Z)-but-2-enedioic acid;ethyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate;propan-2-one
CID 157334965

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[(2S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxopropan-2-yl]amino]pentanoate?
The IUPAC name of ethyl (2S)-2-[[(2S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxopropan-2-yl]amino]pentanoate (CID 24758242) is ethyl (2S)-2-[[(2S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxopropan-2-yl]amino]pentanoate.
What is the SMILES notation for ethyl (2S)-2-[[(2S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxopropan-2-yl]amino]pentanoate?
The canonical SMILES for ethyl (2S)-2-[[(2S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxopropan-2-yl]amino]pentanoate is CCC[C@H](N[C@@H](C)C(=O)Oc1nc(OC)nc(OC)n1)C(=O)OCC.
What is the InChIKey of ethyl (2S)-2-[[(2S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxopropan-2-yl]amino]pentanoate?
The InChIKey is FSOVWPRHTRBIJX-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H24N4O6/c1-6-8-10(12(21)24-7-2)16-9(3)11(20)25-15-18-13(22-4)17-14(19-15)23-5/h9-10,16H,6-8H2,1-5H3/t9-,10-/m0/s1.
What are the key properties of ethyl (2S)-2-[[(2S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxopropan-2-yl]amino]pentanoate?
ethyl (2S)-2-[[(2S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxopropan-2-yl]amino]pentanoate has a molecular weight of 356.38 g/mol, XLogP of 0.50, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[(2S)-1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxopropan-2-yl]amino]pentanoate is sourced from PubChem (CID 24758242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).