tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxy-2-methylpentanoate

C20H37NO7 — CID 59622349

IUPACtert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxy-2-methylpentanoate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(C)(CCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C20H37NO7/c1-17(2,3)26-14(23)20(10,12-11-13-22)21(15(24)27-18(4,5)6)16(25)28-19(7,8)9/h22H,11-13H2,1-10H3
InChIKeyFUYUHPZGBICYLL-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.03
Rot. Bonds5

About tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxy-2-methylpentanoate

tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxy-2-methylpentanoate (PubChem CID 59622349) has the molecular formula C20H37NO7 and a molecular weight of 403.52 g/mol. Its IUPAC name is tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxy-2-methylpentanoate.

Molecular Properties

Compound Nametert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxy-2-methylpentanoate
PubChem CID59622349
Molecular FormulaC20H37NO7
Molecular Weight403.52 g/mol
Exact Mass403.26
IUPAC Nametert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxy-2-methylpentanoate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(C)(CCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C20H37NO7/c1-17(2,3)26-14(23)20(10,12-11-13-22)21(15(24)27-18(4,5)6)16(25)28-19(7,8)9/h22H,11-13H2,1-10H3
InChIKeyFUYUHPZGBICYLL-UHFFFAOYSA-N
XLogP4.03
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxy-2-methylpentanoate?
The IUPAC name of tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxy-2-methylpentanoate (CID 59622349) is tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxy-2-methylpentanoate.
What is the SMILES notation for tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxy-2-methylpentanoate?
The canonical SMILES for tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxy-2-methylpentanoate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(C)(CCCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxy-2-methylpentanoate?
The InChIKey is FUYUHPZGBICYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO7/c1-17(2,3)26-14(23)20(10,12-11-13-22)21(15(24)27-18(4,5)6)16(25)28-19(7,8)9/h22H,11-13H2,1-10H3.
What are the key properties of tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxy-2-methylpentanoate?
tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxy-2-methylpentanoate has a molecular weight of 403.52 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxy-2-methylpentanoate is sourced from PubChem (CID 59622349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).