[2-hydroxy-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate

C17H32N2O5 — CID 144806564

IUPAC[2-hydroxy-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate
SMILES[H]/N=C(\C)CCC(=O)OCC(O)COC(=O)CCC(C)(C)C(C)(C)N
InChIInChI=1S/C17H32N2O5/c1-12(18)6-7-14(21)23-10-13(20)11-24-15(22)8-9-16(2,3)17(4,5)19/h13,18,20H,6-11,19H2,1-5H3/b18-12+
InChIKeyNTHBAIDOZIQCIE-LDADJPATSA-N
MW344.45 g/mol
LogP1.80
Rot. Bonds11

About [2-hydroxy-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate

[2-hydroxy-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate (PubChem CID 144806564) has the molecular formula C17H32N2O5 and a molecular weight of 344.45 g/mol. Its IUPAC name is [2-hydroxy-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate.

Molecular Properties

Compound Name[2-hydroxy-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate
PubChem CID144806564
Molecular FormulaC17H32N2O5
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Name[2-hydroxy-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate
SMILES[H]/N=C(\C)CCC(=O)OCC(O)COC(=O)CCC(C)(C)C(C)(C)N
InChIInChI=1S/C17H32N2O5/c1-12(18)6-7-14(21)23-10-13(20)11-24-15(22)8-9-16(2,3)17(4,5)19/h13,18,20H,6-11,19H2,1-5H3/b18-12+
InChIKeyNTHBAIDOZIQCIE-LDADJPATSA-N
XLogP1.80
TPSA122.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[2-(4-Tert-butyliminopentanoyloxy)-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate
CID 144806578
2-[1-(4-Iminopentanoyloxy)propan-2-yloxy]propyl 5-amino-4,4,5-trimethylhexanoate
CID 144806586
1-[1-(4-Iminopentanoyloxy)propan-2-yloxy]propan-2-yl 5-amino-4,4,5-trimethylhexanoate
CID 144806598
2-[3-[2-(3-Iminobutylperoxy)ethoxy]propoxy]ethyl 5-amino-4,4,5-trimethylhexanoate
CID 144806601
3-(4-Iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate
CID 144806603

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate?
The IUPAC name of [2-hydroxy-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate (CID 144806564) is [2-hydroxy-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate.
What is the SMILES notation for [2-hydroxy-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate?
The canonical SMILES for [2-hydroxy-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate is [H]/N=C(\C)CCC(=O)OCC(O)COC(=O)CCC(C)(C)C(C)(C)N.
What is the InChIKey of [2-hydroxy-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate?
The InChIKey is NTHBAIDOZIQCIE-LDADJPATSA-N. The full InChI is InChI=1S/C17H32N2O5/c1-12(18)6-7-14(21)23-10-13(20)11-24-15(22)8-9-16(2,3)17(4,5)19/h13,18,20H,6-11,19H2,1-5H3/b18-12+.
What are the key properties of [2-hydroxy-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate?
[2-hydroxy-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate has a molecular weight of 344.45 g/mol, XLogP of 1.80, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate is sourced from PubChem (CID 144806564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).