2-methylpropyl 4-[[2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-oxoethyl]amino]-3-hydroxybutanoate

C15H27N3O5 — CID 70348259

IUPAC2-methylpropyl 4-[[2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-oxoethyl]amino]-3-hydroxybutanoate
SMILESCC(C)COC(=O)CC(O)CNCC(=O)N1C(=O)CNC1(C)C
InChIInChI=1S/C15H27N3O5/c1-10(2)9-23-14(22)5-11(19)6-16-7-12(20)18-13(21)8-17-15(18,3)4/h10-11,16-17,19H,5-9H2,1-4H3
InChIKeyPNHCBNMKBONPMO-UHFFFAOYSA-N
MW329.40 g/mol
LogP-0.78
Rot. Bonds8

About 2-methylpropyl 4-[[2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-oxoethyl]amino]-3-hydroxybutanoate

2-methylpropyl 4-[[2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-oxoethyl]amino]-3-hydroxybutanoate (PubChem CID 70348259) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-methylpropyl 4-[[2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-oxoethyl]amino]-3-hydroxybutanoate.

Molecular Properties

Compound Name2-methylpropyl 4-[[2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-oxoethyl]amino]-3-hydroxybutanoate
PubChem CID70348259
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC Name2-methylpropyl 4-[[2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-oxoethyl]amino]-3-hydroxybutanoate
SMILESCC(C)COC(=O)CC(O)CNCC(=O)N1C(=O)CNC1(C)C
InChIInChI=1S/C15H27N3O5/c1-10(2)9-23-14(22)5-11(19)6-16-7-12(20)18-13(21)8-17-15(18,3)4/h10-11,16-17,19H,5-9H2,1-4H3
InChIKeyPNHCBNMKBONPMO-UHFFFAOYSA-N
XLogP-0.78
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[[2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-oxoethyl]amino]-3-hydroxybutanoate?
The IUPAC name of 2-methylpropyl 4-[[2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-oxoethyl]amino]-3-hydroxybutanoate (CID 70348259) is 2-methylpropyl 4-[[2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-oxoethyl]amino]-3-hydroxybutanoate.
What is the SMILES notation for 2-methylpropyl 4-[[2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-oxoethyl]amino]-3-hydroxybutanoate?
The canonical SMILES for 2-methylpropyl 4-[[2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-oxoethyl]amino]-3-hydroxybutanoate is CC(C)COC(=O)CC(O)CNCC(=O)N1C(=O)CNC1(C)C.
What is the InChIKey of 2-methylpropyl 4-[[2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-oxoethyl]amino]-3-hydroxybutanoate?
The InChIKey is PNHCBNMKBONPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5/c1-10(2)9-23-14(22)5-11(19)6-16-7-12(20)18-13(21)8-17-15(18,3)4/h10-11,16-17,19H,5-9H2,1-4H3.
What are the key properties of 2-methylpropyl 4-[[2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-oxoethyl]amino]-3-hydroxybutanoate?
2-methylpropyl 4-[[2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-oxoethyl]amino]-3-hydroxybutanoate has a molecular weight of 329.40 g/mol, XLogP of -0.78, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[[2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-oxoethyl]amino]-3-hydroxybutanoate is sourced from PubChem (CID 70348259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).