ethyl (2R)-3-[(2S)-2-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]propoxy]-2-hydroxypropanoate

C14H23N3O5 — CID 171587532

IUPACethyl (2R)-3-[(2S)-2-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]propoxy]-2-hydroxypropanoate
SMILESCCOC(=O)[C@H](O)COC[C@H](C)Nc1cnn(C)c(=O)c1C
InChIInChI=1S/C14H23N3O5/c1-5-22-14(20)12(18)8-21-7-9(2)16-11-6-15-17(4)13(19)10(11)3/h6,9,12,16,18H,5,7-8H2,1-4H3/t9-,12+/m0/s1
InChIKeySSLINSSUUSHCIA-JOYOIKCWSA-N
MW313.35 g/mol
LogP-0.17
Rot. Bonds8

About ethyl (2R)-3-[(2S)-2-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]propoxy]-2-hydroxypropanoate

ethyl (2R)-3-[(2S)-2-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]propoxy]-2-hydroxypropanoate (PubChem CID 171587532) has the molecular formula C14H23N3O5 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl (2R)-3-[(2S)-2-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]propoxy]-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl (2R)-3-[(2S)-2-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]propoxy]-2-hydroxypropanoate
PubChem CID171587532
Molecular FormulaC14H23N3O5
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Nameethyl (2R)-3-[(2S)-2-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]propoxy]-2-hydroxypropanoate
SMILESCCOC(=O)[C@H](O)COC[C@H](C)Nc1cnn(C)c(=O)c1C
InChIInChI=1S/C14H23N3O5/c1-5-22-14(20)12(18)8-21-7-9(2)16-11-6-15-17(4)13(19)10(11)3/h6,9,12,16,18H,5,7-8H2,1-4H3/t9-,12+/m0/s1
InChIKeySSLINSSUUSHCIA-JOYOIKCWSA-N
XLogP-0.17
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl (2R)-3-[(2S)-2-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]propoxy]-2-hydroxypropanoate with MolForge

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Related Compounds

ethyl (2R)-2-hydroxy-3-[(2S)-2-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-(trifluoromethyl)pyridazin-4-yl]amino]propoxy]propanoate
CID 164854862
4-bromo-2-methyl-5-[[(2S)-1-(2-methylpropoxy)propan-2-yl]amino]pyridazin-3-one
CID 95624933
4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one
CID 114436919
2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one
CID 114436331
4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one
CID 115623899
2-hydroxy-3-[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]amino]propoxy]propanoic acid
CID 164854732
N-heptan-2-yl-1,5-dimethylpyrazol-4-amine
CID 115923292
methyl 2-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-4-methylpentanoate
CID 115624202
2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride
CID 119797909
ethyl 2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]propanoate
CID 114435725
ethyl 4-amino-3-(1-ethoxypropan-2-ylamino)benzoate
CID 82785251
5-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630977

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-[(2S)-2-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]propoxy]-2-hydroxypropanoate?
The IUPAC name of ethyl (2R)-3-[(2S)-2-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]propoxy]-2-hydroxypropanoate (CID 171587532) is ethyl (2R)-3-[(2S)-2-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]propoxy]-2-hydroxypropanoate.
What is the SMILES notation for ethyl (2R)-3-[(2S)-2-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]propoxy]-2-hydroxypropanoate?
The canonical SMILES for ethyl (2R)-3-[(2S)-2-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]propoxy]-2-hydroxypropanoate is CCOC(=O)[C@H](O)COC[C@H](C)Nc1cnn(C)c(=O)c1C.
What is the InChIKey of ethyl (2R)-3-[(2S)-2-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]propoxy]-2-hydroxypropanoate?
The InChIKey is SSLINSSUUSHCIA-JOYOIKCWSA-N. The full InChI is InChI=1S/C14H23N3O5/c1-5-22-14(20)12(18)8-21-7-9(2)16-11-6-15-17(4)13(19)10(11)3/h6,9,12,16,18H,5,7-8H2,1-4H3/t9-,12+/m0/s1.
What are the key properties of ethyl (2R)-3-[(2S)-2-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]propoxy]-2-hydroxypropanoate?
ethyl (2R)-3-[(2S)-2-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]propoxy]-2-hydroxypropanoate has a molecular weight of 313.35 g/mol, XLogP of -0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-[(2S)-2-[(1,5-dimethyl-6-oxopyridazin-4-yl)amino]propoxy]-2-hydroxypropanoate is sourced from PubChem (CID 171587532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).