diethyl (4R,5R)-4-hydroxy-5-[[(2S)-1-phenylpropan-2-yl]amino]diazinane-1,2-dicarboxylate

C19H29N3O5 — CID 7680623

IUPACdiethyl (4R,5R)-4-hydroxy-5-[[(2S)-1-phenylpropan-2-yl]amino]diazinane-1,2-dicarboxylate
SMILESCCOC(=O)N1C[C@@H](O)[C@H](N[C@@H](C)Cc2ccccc2)CN1C(=O)OCC
InChIInChI=1S/C19H29N3O5/c1-4-26-18(24)21-12-16(17(23)13-22(21)19(25)27-5-2)20-14(3)11-15-9-7-6-8-10-15/h6-10,14,16-17,20,23H,4-5,11-13H2,1-3H3/t14-,16+,17+/m0/s1
InChIKeyBRHHHATVXVJFPB-USXIJHARSA-N
MW379.46 g/mol
LogP1.78
Rot. Bonds6

About diethyl (4R,5R)-4-hydroxy-5-[[(2S)-1-phenylpropan-2-yl]amino]diazinane-1,2-dicarboxylate

diethyl (4R,5R)-4-hydroxy-5-[[(2S)-1-phenylpropan-2-yl]amino]diazinane-1,2-dicarboxylate (PubChem CID 7680623) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is diethyl (4R,5R)-4-hydroxy-5-[[(2S)-1-phenylpropan-2-yl]amino]diazinane-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl (4R,5R)-4-hydroxy-5-[[(2S)-1-phenylpropan-2-yl]amino]diazinane-1,2-dicarboxylate
PubChem CID7680623
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Namediethyl (4R,5R)-4-hydroxy-5-[[(2S)-1-phenylpropan-2-yl]amino]diazinane-1,2-dicarboxylate
SMILESCCOC(=O)N1C[C@@H](O)[C@H](N[C@@H](C)Cc2ccccc2)CN1C(=O)OCC
InChIInChI=1S/C19H29N3O5/c1-4-26-18(24)21-12-16(17(23)13-22(21)19(25)27-5-2)20-14(3)11-15-9-7-6-8-10-15/h6-10,14,16-17,20,23H,4-5,11-13H2,1-3H3/t14-,16+,17+/m0/s1
InChIKeyBRHHHATVXVJFPB-USXIJHARSA-N
XLogP1.78
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze diethyl (4R,5R)-4-hydroxy-5-[[(2S)-1-phenylpropan-2-yl]amino]diazinane-1,2-dicarboxylate with MolForge

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Related Compounds

[1,2-bis(ethoxycarbonyl)-5-hydroxydiazinan-4-yl]-(1-phenylpropan-2-yl)azanium
CID 4918764
4-(1-phenylpropan-2-ylamino)oxolan-3-ol
CID 63011937
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
1,1-dioxo-4-(1-phenylpropan-2-ylamino)thiolan-3-ol
CID 55149563
tert-butyl 6-(1-phenylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238428
1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
CID 94923523
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
ethyl (3R,4R)-3-[[(1S)-1-phenylethyl]amino]oxane-4-carboxylate
CID 86708998
ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 83993632
2-[(2-methylpropan-2-yl)oxy]-N-(1-phenylpropan-2-yl)acetamide
CID 112605295
2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid
CID 14036499
diethyl (3S)-2-benzyl-3-hydroxybutanedioate
CID 57289528

Frequently Asked Questions

What is the IUPAC name of diethyl (4R,5R)-4-hydroxy-5-[[(2S)-1-phenylpropan-2-yl]amino]diazinane-1,2-dicarboxylate?
The IUPAC name of diethyl (4R,5R)-4-hydroxy-5-[[(2S)-1-phenylpropan-2-yl]amino]diazinane-1,2-dicarboxylate (CID 7680623) is diethyl (4R,5R)-4-hydroxy-5-[[(2S)-1-phenylpropan-2-yl]amino]diazinane-1,2-dicarboxylate.
What is the SMILES notation for diethyl (4R,5R)-4-hydroxy-5-[[(2S)-1-phenylpropan-2-yl]amino]diazinane-1,2-dicarboxylate?
The canonical SMILES for diethyl (4R,5R)-4-hydroxy-5-[[(2S)-1-phenylpropan-2-yl]amino]diazinane-1,2-dicarboxylate is CCOC(=O)N1C[C@@H](O)[C@H](N[C@@H](C)Cc2ccccc2)CN1C(=O)OCC.
What is the InChIKey of diethyl (4R,5R)-4-hydroxy-5-[[(2S)-1-phenylpropan-2-yl]amino]diazinane-1,2-dicarboxylate?
The InChIKey is BRHHHATVXVJFPB-USXIJHARSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-4-26-18(24)21-12-16(17(23)13-22(21)19(25)27-5-2)20-14(3)11-15-9-7-6-8-10-15/h6-10,14,16-17,20,23H,4-5,11-13H2,1-3H3/t14-,16+,17+/m0/s1.
What are the key properties of diethyl (4R,5R)-4-hydroxy-5-[[(2S)-1-phenylpropan-2-yl]amino]diazinane-1,2-dicarboxylate?
diethyl (4R,5R)-4-hydroxy-5-[[(2S)-1-phenylpropan-2-yl]amino]diazinane-1,2-dicarboxylate has a molecular weight of 379.46 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4R,5R)-4-hydroxy-5-[[(2S)-1-phenylpropan-2-yl]amino]diazinane-1,2-dicarboxylate is sourced from PubChem (CID 7680623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).