tert-butyl 6-amino-3,5-dihydroxyhexanoate

C10H21NO4 — CID 87112903

IUPACtert-butyl 6-amino-3,5-dihydroxyhexanoate
SMILESCC(C)(C)OC(=O)CC(O)CC(O)CN
InChIInChI=1S/C10H21NO4/c1-10(2,3)15-9(14)5-7(12)4-8(13)6-11/h7-8,12-13H,4-6,11H2,1-3H3
InChIKeyYPQUMPGKBUMKTE-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.21
Rot. Bonds5

About tert-butyl 6-amino-3,5-dihydroxyhexanoate

tert-butyl 6-amino-3,5-dihydroxyhexanoate (PubChem CID 87112903) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl 6-amino-3,5-dihydroxyhexanoate.

Molecular Properties

Compound Nametert-butyl 6-amino-3,5-dihydroxyhexanoate
PubChem CID87112903
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nametert-butyl 6-amino-3,5-dihydroxyhexanoate
SMILESCC(C)(C)OC(=O)CC(O)CC(O)CN
InChIInChI=1S/C10H21NO4/c1-10(2,3)15-9(14)5-7(12)4-8(13)6-11/h7-8,12-13H,4-6,11H2,1-3H3
InChIKeyYPQUMPGKBUMKTE-UHFFFAOYSA-N
XLogP-0.21
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (5R)-6-cyano-3,5-dihydroxyhexanoate
CID 140800890
6-O-tert-butyl 1-O-propan-2-yl 2,4-dihydroxyhexanedioate
CID 85068569
tert-butyl (3R,5R)-3,5-dihydroxyhexanoate;tert-butyl 5-hydroxy-3-oxohexanoate
CID 157326986
tert-butyl 4-amino-3-methoxybutanoate
CID 102921115
[(2S,4R)-2,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl] benzoate
CID 11484150
tert-butyl 5-amino-3-ethyl-4-hydroxypentanoate
CID 59026228
tert-butyl (3S)-3-(aminomethyl)-5-methylhexanoate;hydrochloride
CID 122164368
tert-butyl 3,3-diaminopropanoate
CID 57031897
tert-butyl (3S)-3-amino-4,4-dihydroxybutanoate
CID 139456392
[1-methoxy-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]phosphanium
CID 123691775
tert-butyl (3S)-3-hydroxy-6-oxohexanoate
CID 166706842
ditert-butyl (2S)-2-aminobutanedioate;ditert-butyl (2R)-2-aminobutanedioate
CID 163821206

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-3,5-dihydroxyhexanoate?
The IUPAC name of tert-butyl 6-amino-3,5-dihydroxyhexanoate (CID 87112903) is tert-butyl 6-amino-3,5-dihydroxyhexanoate.
What is the SMILES notation for tert-butyl 6-amino-3,5-dihydroxyhexanoate?
The canonical SMILES for tert-butyl 6-amino-3,5-dihydroxyhexanoate is CC(C)(C)OC(=O)CC(O)CC(O)CN.
What is the InChIKey of tert-butyl 6-amino-3,5-dihydroxyhexanoate?
The InChIKey is YPQUMPGKBUMKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-10(2,3)15-9(14)5-7(12)4-8(13)6-11/h7-8,12-13H,4-6,11H2,1-3H3.
What are the key properties of tert-butyl 6-amino-3,5-dihydroxyhexanoate?
tert-butyl 6-amino-3,5-dihydroxyhexanoate has a molecular weight of 219.28 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-amino-3,5-dihydroxyhexanoate is sourced from PubChem (CID 87112903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).