tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3,4-dihydroxy-5-oxopentanoate

C16H30N2O5 — CID 57234478

IUPACtert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3,4-dihydroxy-5-oxopentanoate
SMILESCC(C)(C)OC(=O)C(C(N)C1CCCCC1)C(O)C(O)C(N)=O
InChIInChI=1S/C16H30N2O5/c1-16(2,3)23-15(22)10(12(19)13(20)14(18)21)11(17)9-7-5-4-6-8-9/h9-13,19-20H,4-8,17H2,1-3H3,(H2,18,21)
InChIKeyZAUKOHOWFNWYBT-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.06
Rot. Bonds6

About tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3,4-dihydroxy-5-oxopentanoate

tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3,4-dihydroxy-5-oxopentanoate (PubChem CID 57234478) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3,4-dihydroxy-5-oxopentanoate.

Molecular Properties

Compound Nametert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3,4-dihydroxy-5-oxopentanoate
PubChem CID57234478
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Nametert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3,4-dihydroxy-5-oxopentanoate
SMILESCC(C)(C)OC(=O)C(C(N)C1CCCCC1)C(O)C(O)C(N)=O
InChIInChI=1S/C16H30N2O5/c1-16(2,3)23-15(22)10(12(19)13(20)14(18)21)11(17)9-7-5-4-6-8-9/h9-13,19-20H,4-8,17H2,1-3H3,(H2,18,21)
InChIKeyZAUKOHOWFNWYBT-UHFFFAOYSA-N
XLogP0.06
TPSA135.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3,4-dihydroxy-5-oxopentanoate?
The IUPAC name of tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3,4-dihydroxy-5-oxopentanoate (CID 57234478) is tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3,4-dihydroxy-5-oxopentanoate.
What is the SMILES notation for tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3,4-dihydroxy-5-oxopentanoate?
The canonical SMILES for tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3,4-dihydroxy-5-oxopentanoate is CC(C)(C)OC(=O)C(C(N)C1CCCCC1)C(O)C(O)C(N)=O.
What is the InChIKey of tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3,4-dihydroxy-5-oxopentanoate?
The InChIKey is ZAUKOHOWFNWYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O5/c1-16(2,3)23-15(22)10(12(19)13(20)14(18)21)11(17)9-7-5-4-6-8-9/h9-13,19-20H,4-8,17H2,1-3H3,(H2,18,21).
What are the key properties of tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3,4-dihydroxy-5-oxopentanoate?
tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3,4-dihydroxy-5-oxopentanoate has a molecular weight of 330.43 g/mol, XLogP of 0.06, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3,4-dihydroxy-5-oxopentanoate is sourced from PubChem (CID 57234478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).