2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-2-hydroxy-4-oxo-2-propan-2-ylimidazolidin-1-yl]butanoate

C16H29N3O5 — CID 70435932

IUPAC2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-2-hydroxy-4-oxo-2-propan-2-ylimidazolidin-1-yl]butanoate
SMILESCC(C)COC(=O)CCCN1CC(=O)N(CC(N)=O)C1(O)C(C)C
InChIInChI=1S/C16H29N3O5/c1-11(2)10-24-15(22)6-5-7-18-9-14(21)19(8-13(17)20)16(18,23)12(3)4/h11-12,23H,5-10H2,1-4H3,(H2,17,20)
InChIKeyASQWETSEYVHFGU-UHFFFAOYSA-N
MW343.42 g/mol
LogP-0.10
Rot. Bonds9

About 2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-2-hydroxy-4-oxo-2-propan-2-ylimidazolidin-1-yl]butanoate

2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-2-hydroxy-4-oxo-2-propan-2-ylimidazolidin-1-yl]butanoate (PubChem CID 70435932) has the molecular formula C16H29N3O5 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-2-hydroxy-4-oxo-2-propan-2-ylimidazolidin-1-yl]butanoate.

Molecular Properties

Compound Name2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-2-hydroxy-4-oxo-2-propan-2-ylimidazolidin-1-yl]butanoate
PubChem CID70435932
Molecular FormulaC16H29N3O5
Molecular Weight343.42 g/mol
Exact Mass343.21
IUPAC Name2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-2-hydroxy-4-oxo-2-propan-2-ylimidazolidin-1-yl]butanoate
SMILESCC(C)COC(=O)CCCN1CC(=O)N(CC(N)=O)C1(O)C(C)C
InChIInChI=1S/C16H29N3O5/c1-11(2)10-24-15(22)6-5-7-18-9-14(21)19(8-13(17)20)16(18,23)12(3)4/h11-12,23H,5-10H2,1-4H3,(H2,17,20)
InChIKeyASQWETSEYVHFGU-UHFFFAOYSA-N
XLogP-0.10
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-2-hydroxy-4-oxo-2-propan-2-ylimidazolidin-1-yl]butanoate?
The IUPAC name of 2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-2-hydroxy-4-oxo-2-propan-2-ylimidazolidin-1-yl]butanoate (CID 70435932) is 2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-2-hydroxy-4-oxo-2-propan-2-ylimidazolidin-1-yl]butanoate.
What is the SMILES notation for 2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-2-hydroxy-4-oxo-2-propan-2-ylimidazolidin-1-yl]butanoate?
The canonical SMILES for 2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-2-hydroxy-4-oxo-2-propan-2-ylimidazolidin-1-yl]butanoate is CC(C)COC(=O)CCCN1CC(=O)N(CC(N)=O)C1(O)C(C)C.
What is the InChIKey of 2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-2-hydroxy-4-oxo-2-propan-2-ylimidazolidin-1-yl]butanoate?
The InChIKey is ASQWETSEYVHFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O5/c1-11(2)10-24-15(22)6-5-7-18-9-14(21)19(8-13(17)20)16(18,23)12(3)4/h11-12,23H,5-10H2,1-4H3,(H2,17,20).
What are the key properties of 2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-2-hydroxy-4-oxo-2-propan-2-ylimidazolidin-1-yl]butanoate?
2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-2-hydroxy-4-oxo-2-propan-2-ylimidazolidin-1-yl]butanoate has a molecular weight of 343.42 g/mol, XLogP of -0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-2-hydroxy-4-oxo-2-propan-2-ylimidazolidin-1-yl]butanoate is sourced from PubChem (CID 70435932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).