tert-butyl 2-[ethyl-(1-hydroxy-3-methylbutan-2-yl)amino]acetate;tert-butyl 2-[ethyl-[(2S)-1-hydroxypropan-2-yl]amino]acetate

C24H50N2O6 — CID 158128675

IUPACtert-butyl 2-[ethyl-(1-hydroxy-3-methylbutan-2-yl)amino]acetate;tert-butyl 2-[ethyl-[(2S)-1-hydroxypropan-2-yl]amino]acetate
SMILESCCN(CC(=O)OC(C)(C)C)C(CO)C(C)C.CCN(CC(=O)OC(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C13H27NO3.C11H23NO3/c1-7-14(11(9-15)10(2)3)8-12(16)17-13(4,5)6;1-6-12(9(2)8-13)7-10(14)15-11(3,4)5/h10-11,15H,7-9H2,1-6H3;9,13H,6-8H2,1-5H3/t;9-/m.0/s1
InChIKeyFSMONEOLAGYZKQ-NPULLEENSA-N
MW462.67 g/mol
LogP2.70
Rot. Bonds11

About tert-butyl 2-[ethyl-(1-hydroxy-3-methylbutan-2-yl)amino]acetate;tert-butyl 2-[ethyl-[(2S)-1-hydroxypropan-2-yl]amino]acetate

tert-butyl 2-[ethyl-(1-hydroxy-3-methylbutan-2-yl)amino]acetate;tert-butyl 2-[ethyl-[(2S)-1-hydroxypropan-2-yl]amino]acetate (PubChem CID 158128675) has the molecular formula C24H50N2O6 and a molecular weight of 462.67 g/mol. Its IUPAC name is tert-butyl 2-[ethyl-(1-hydroxy-3-methylbutan-2-yl)amino]acetate;tert-butyl 2-[ethyl-[(2S)-1-hydroxypropan-2-yl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[ethyl-(1-hydroxy-3-methylbutan-2-yl)amino]acetate;tert-butyl 2-[ethyl-[(2S)-1-hydroxypropan-2-yl]amino]acetate
PubChem CID158128675
Molecular FormulaC24H50N2O6
Molecular Weight462.67 g/mol
Exact Mass462.37
IUPAC Nametert-butyl 2-[ethyl-(1-hydroxy-3-methylbutan-2-yl)amino]acetate;tert-butyl 2-[ethyl-[(2S)-1-hydroxypropan-2-yl]amino]acetate
SMILESCCN(CC(=O)OC(C)(C)C)C(CO)C(C)C.CCN(CC(=O)OC(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C13H27NO3.C11H23NO3/c1-7-14(11(9-15)10(2)3)8-12(16)17-13(4,5)6;1-6-12(9(2)8-13)7-10(14)15-11(3,4)5/h10-11,15H,7-9H2,1-6H3;9,13H,6-8H2,1-5H3/t;9-/m.0/s1
InChIKeyFSMONEOLAGYZKQ-NPULLEENSA-N
XLogP2.70
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.67
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl 2-[ethyl-(1-hydroxy-3-methylbutan-2-yl)amino]acetate
CID 87652560
(2R)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid
CID 10495701
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
tert-butyl 2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxypropanoate
CID 73029640
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
2-[6-aminohexyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3,3-dimethylbutanoic acid;hydrochloride
CID 87081473
tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate
CID 115590874
tert-butyl 2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 45101145
tert-butyl (3R)-3,4,4-trimethylpentanoate
CID 89006070
tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 23510744
tert-butyl N-[(3R)-4-hydroxy-3-methylbutyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 88904676
tert-butyl 2-[(4-hydroxy-2-methylbutyl)-methylamino]acetate
CID 87920779

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[ethyl-(1-hydroxy-3-methylbutan-2-yl)amino]acetate;tert-butyl 2-[ethyl-[(2S)-1-hydroxypropan-2-yl]amino]acetate?
The IUPAC name of tert-butyl 2-[ethyl-(1-hydroxy-3-methylbutan-2-yl)amino]acetate;tert-butyl 2-[ethyl-[(2S)-1-hydroxypropan-2-yl]amino]acetate (CID 158128675) is tert-butyl 2-[ethyl-(1-hydroxy-3-methylbutan-2-yl)amino]acetate;tert-butyl 2-[ethyl-[(2S)-1-hydroxypropan-2-yl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[ethyl-(1-hydroxy-3-methylbutan-2-yl)amino]acetate;tert-butyl 2-[ethyl-[(2S)-1-hydroxypropan-2-yl]amino]acetate?
The canonical SMILES for tert-butyl 2-[ethyl-(1-hydroxy-3-methylbutan-2-yl)amino]acetate;tert-butyl 2-[ethyl-[(2S)-1-hydroxypropan-2-yl]amino]acetate is CCN(CC(=O)OC(C)(C)C)C(CO)C(C)C.CCN(CC(=O)OC(C)(C)C)[C@@H](C)CO.
What is the InChIKey of tert-butyl 2-[ethyl-(1-hydroxy-3-methylbutan-2-yl)amino]acetate;tert-butyl 2-[ethyl-[(2S)-1-hydroxypropan-2-yl]amino]acetate?
The InChIKey is FSMONEOLAGYZKQ-NPULLEENSA-N. The full InChI is InChI=1S/C13H27NO3.C11H23NO3/c1-7-14(11(9-15)10(2)3)8-12(16)17-13(4,5)6;1-6-12(9(2)8-13)7-10(14)15-11(3,4)5/h10-11,15H,7-9H2,1-6H3;9,13H,6-8H2,1-5H3/t;9-/m.0/s1.
What are the key properties of tert-butyl 2-[ethyl-(1-hydroxy-3-methylbutan-2-yl)amino]acetate;tert-butyl 2-[ethyl-[(2S)-1-hydroxypropan-2-yl]amino]acetate?
tert-butyl 2-[ethyl-(1-hydroxy-3-methylbutan-2-yl)amino]acetate;tert-butyl 2-[ethyl-[(2S)-1-hydroxypropan-2-yl]amino]acetate has a molecular weight of 462.67 g/mol, XLogP of 2.70, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[ethyl-(1-hydroxy-3-methylbutan-2-yl)amino]acetate;tert-butyl 2-[ethyl-[(2S)-1-hydroxypropan-2-yl]amino]acetate is sourced from PubChem (CID 158128675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).