2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4,4-dimethyl-3-pent-4-enoyloxypentanoic acid

C24H41NO8 — CID 88937973

IUPAC2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4,4-dimethyl-3-pent-4-enoyloxypentanoic acid
SMILESC=CCCC(=O)OC(C(C(=O)O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H41NO8/c1-11-12-13-16(26)31-20(22(2,3)4)19(21(29)30)25(14-17(27)32-23(5,6)7)15-18(28)33-24(8,9)10/h11,19-20H,1,12-15H2,2-10H3,(H,29,30)
InChIKeyFCLVLMIFBWNZKM-UHFFFAOYSA-N
MW471.59 g/mol
LogP3.35
Rot. Bonds11

About 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4,4-dimethyl-3-pent-4-enoyloxypentanoic acid

2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4,4-dimethyl-3-pent-4-enoyloxypentanoic acid (PubChem CID 88937973) has the molecular formula C24H41NO8 and a molecular weight of 471.59 g/mol. Its IUPAC name is 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4,4-dimethyl-3-pent-4-enoyloxypentanoic acid.

Molecular Properties

Compound Name2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4,4-dimethyl-3-pent-4-enoyloxypentanoic acid
PubChem CID88937973
Molecular FormulaC24H41NO8
Molecular Weight471.59 g/mol
Exact Mass471.28
IUPAC Name2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4,4-dimethyl-3-pent-4-enoyloxypentanoic acid
SMILESC=CCCC(=O)OC(C(C(=O)O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H41NO8/c1-11-12-13-16(26)31-20(22(2,3)4)19(21(29)30)25(14-17(27)32-23(5,6)7)15-18(28)33-24(8,9)10/h11,19-20H,1,12-15H2,2-10H3,(H,29,30)
InChIKeyFCLVLMIFBWNZKM-UHFFFAOYSA-N
XLogP3.35
TPSA119.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4,4-dimethyl-3-pent-4-enoyloxypentanoic acid with MolForge

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Related Compounds

(2S)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3,3-dimethyl-2-(pent-4-enoyloxymethyl)butanoic acid
CID 88937975
2-[Bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-hydroxy-4,4-dimethylpentanoic acid
CID 88938000

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4,4-dimethyl-3-pent-4-enoyloxypentanoic acid?
The IUPAC name of 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4,4-dimethyl-3-pent-4-enoyloxypentanoic acid (CID 88937973) is 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4,4-dimethyl-3-pent-4-enoyloxypentanoic acid.
What is the SMILES notation for 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4,4-dimethyl-3-pent-4-enoyloxypentanoic acid?
The canonical SMILES for 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4,4-dimethyl-3-pent-4-enoyloxypentanoic acid is C=CCCC(=O)OC(C(C(=O)O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4,4-dimethyl-3-pent-4-enoyloxypentanoic acid?
The InChIKey is FCLVLMIFBWNZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO8/c1-11-12-13-16(26)31-20(22(2,3)4)19(21(29)30)25(14-17(27)32-23(5,6)7)15-18(28)33-24(8,9)10/h11,19-20H,1,12-15H2,2-10H3,(H,29,30).
What are the key properties of 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4,4-dimethyl-3-pent-4-enoyloxypentanoic acid?
2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4,4-dimethyl-3-pent-4-enoyloxypentanoic acid has a molecular weight of 471.59 g/mol, XLogP of 3.35, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4,4-dimethyl-3-pent-4-enoyloxypentanoic acid is sourced from PubChem (CID 88937973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).