benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate

C19H29NO4 — CID 67291803

IUPACbenzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate
SMILESCCN(C(C)C(=O)OC(C)(C)C)[C@@H](C)C(=O)OCc1ccccc1
InChIInChI=1S/C19H29NO4/c1-7-20(15(3)18(22)24-19(4,5)6)14(2)17(21)23-13-16-11-9-8-10-12-16/h8-12,14-15H,7,13H2,1-6H3/t14-,15?/m0/s1
InChIKeyWUAKNLUYPRECJC-MLCCFXAWSA-N
MW335.44 g/mol
LogP3.17
Rot. Bonds7

About benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate

benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate (PubChem CID 67291803) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate
PubChem CID67291803
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Namebenzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate
SMILESCCN(C(C)C(=O)OC(C)(C)C)[C@@H](C)C(=O)OCc1ccccc1
InChIInChI=1S/C19H29NO4/c1-7-20(15(3)18(22)24-19(4,5)6)14(2)17(21)23-13-16-11-9-8-10-12-16/h8-12,14-15H,7,13H2,1-6H3/t14-,15?/m0/s1
InChIKeyWUAKNLUYPRECJC-MLCCFXAWSA-N
XLogP3.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate with MolForge

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Related Compounds

tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate
CID 64689549
tert-butyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 15600481
4-O-benzyl 1-O-tert-butyl 3-methyl-2-pentylbutanedioate
CID 175438683
benzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 168920145
benzyl (2R)-2-[dimethylsulfamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 168920072
4-O-benzyl 1-O-tert-butyl 2-amino-3-hydroxybutanedioate
CID 167202522
4-O-benzyl 1-O-tert-butyl (2S,3S)-2-(3-hydroxypropyl)-3-methylbutanedioate
CID 121340253
(1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 122703485
benzyl 2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 123691053
tert-butyl (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 81004591
tert-butyl (2S,3S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoate
CID 54562701
benzyl (2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 122715456

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate?
The IUPAC name of benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate (CID 67291803) is benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate.
What is the SMILES notation for benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate?
The canonical SMILES for benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate is CCN(C(C)C(=O)OC(C)(C)C)[C@@H](C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate?
The InChIKey is WUAKNLUYPRECJC-MLCCFXAWSA-N. The full InChI is InChI=1S/C19H29NO4/c1-7-20(15(3)18(22)24-19(4,5)6)14(2)17(21)23-13-16-11-9-8-10-12-16/h8-12,14-15H,7,13H2,1-6H3/t14-,15?/m0/s1.
What are the key properties of benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate?
benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate has a molecular weight of 335.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate is sourced from PubChem (CID 67291803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).