tert-butyl (4S)-5-hydroxy-2-imino-4-methylpentanoate

C10H19NO3 — CID 174488648

IUPACtert-butyl (4S)-5-hydroxy-2-imino-4-methylpentanoate
SMILES[H]/N=C(\C[C@H](C)CO)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7(6-12)5-8(11)9(13)14-10(2,3)4/h7,11-12H,5-6H2,1-4H3/b11-8+/t7-/m0/s1
InChIKeySXPCBKASNOTALK-AHHRJZGPSA-N
MW201.27 g/mol
LogP1.37
Rot. Bonds4

About tert-butyl (4S)-5-hydroxy-2-imino-4-methylpentanoate

tert-butyl (4S)-5-hydroxy-2-imino-4-methylpentanoate (PubChem CID 174488648) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl (4S)-5-hydroxy-2-imino-4-methylpentanoate.

Molecular Properties

Compound Nametert-butyl (4S)-5-hydroxy-2-imino-4-methylpentanoate
PubChem CID174488648
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl (4S)-5-hydroxy-2-imino-4-methylpentanoate
SMILES[H]/N=C(\C[C@H](C)CO)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7(6-12)5-8(11)9(13)14-10(2,3)4/h7,11-12H,5-6H2,1-4H3/b11-8+/t7-/m0/s1
InChIKeySXPCBKASNOTALK-AHHRJZGPSA-N
XLogP1.37
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-5-hydroxy-2-imino-4-methylpentanoate?
The IUPAC name of tert-butyl (4S)-5-hydroxy-2-imino-4-methylpentanoate (CID 174488648) is tert-butyl (4S)-5-hydroxy-2-imino-4-methylpentanoate.
What is the SMILES notation for tert-butyl (4S)-5-hydroxy-2-imino-4-methylpentanoate?
The canonical SMILES for tert-butyl (4S)-5-hydroxy-2-imino-4-methylpentanoate is [H]/N=C(\C[C@H](C)CO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-5-hydroxy-2-imino-4-methylpentanoate?
The InChIKey is SXPCBKASNOTALK-AHHRJZGPSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(6-12)5-8(11)9(13)14-10(2,3)4/h7,11-12H,5-6H2,1-4H3/b11-8+/t7-/m0/s1.
What are the key properties of tert-butyl (4S)-5-hydroxy-2-imino-4-methylpentanoate?
tert-butyl (4S)-5-hydroxy-2-imino-4-methylpentanoate has a molecular weight of 201.27 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-5-hydroxy-2-imino-4-methylpentanoate is sourced from PubChem (CID 174488648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).