tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3-hydroxy-4-methoxy-5-oxopentanoate

C17H32N2O5 — CID 57143296

IUPACtert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3-hydroxy-4-methoxy-5-oxopentanoate
SMILESCOC(C(N)=O)C(O)C(C(=O)OC(C)(C)C)C(N)C1CCCCC1
InChIInChI=1S/C17H32N2O5/c1-17(2,3)24-16(22)11(13(20)14(23-4)15(19)21)12(18)10-8-6-5-7-9-10/h10-14,20H,5-9,18H2,1-4H3,(H2,19,21)
InChIKeyCHFOLGDNQWHFGM-UHFFFAOYSA-N
MW344.45 g/mol
LogP0.71
Rot. Bonds7

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

tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3-hydroxy-4-methoxy-5-oxopentanoate (PubChem CID 57143296) has the molecular formula C17H32N2O5 and a molecular weight of 344.45 g/mol. Its IUPAC name is tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3-hydroxy-4-methoxy-5-oxopentanoate.

Molecular Properties

Compound Nametert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3-hydroxy-4-methoxy-5-oxopentanoate
PubChem CID57143296
Molecular FormulaC17H32N2O5
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Nametert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3-hydroxy-4-methoxy-5-oxopentanoate
SMILESCOC(C(N)=O)C(O)C(C(=O)OC(C)(C)C)C(N)C1CCCCC1
InChIInChI=1S/C17H32N2O5/c1-17(2,3)24-16(22)11(13(20)14(23-4)15(19)21)12(18)10-8-6-5-7-9-10/h10-14,20H,5-9,18H2,1-4H3,(H2,19,21)
InChIKeyCHFOLGDNQWHFGM-UHFFFAOYSA-N
XLogP0.71
TPSA124.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 50.71
H-Bond Donors ≤ 53
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-hydroxy-4-methoxy-5-oxopentanoate?
The IUPAC name of tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3-hydroxy-4-methoxy-5-oxopentanoate (CID 57143296) is tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3-hydroxy-4-methoxy-5-oxopentanoate.
What is the SMILES notation for tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3-hydroxy-4-methoxy-5-oxopentanoate?
The canonical SMILES for tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3-hydroxy-4-methoxy-5-oxopentanoate is COC(C(N)=O)C(O)C(C(=O)OC(C)(C)C)C(N)C1CCCCC1.
What is the InChIKey of tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3-hydroxy-4-methoxy-5-oxopentanoate?
The InChIKey is CHFOLGDNQWHFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O5/c1-17(2,3)24-16(22)11(13(20)14(23-4)15(19)21)12(18)10-8-6-5-7-9-10/h10-14,20H,5-9,18H2,1-4H3,(H2,19,21).
What are the key properties of tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3-hydroxy-4-methoxy-5-oxopentanoate?
tert-butyl 5-amino-2-[amino(cyclohexyl)methyl]-3-hydroxy-4-methoxy-5-oxopentanoate has a molecular weight of 344.45 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 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-hydroxy-4-methoxy-5-oxopentanoate is sourced from PubChem (CID 57143296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).