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

C16H29N3O5 — CID 14618024

IUPAC2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoate
SMILESCC(C)COC(=O)CC(O)CN1CC(=O)N(CC(N)=O)C1C(C)C
InChIInChI=1S/C16H29N3O5/c1-10(2)9-24-15(23)5-12(20)6-18-8-14(22)19(7-13(17)21)16(18)11(3)4/h10-12,16,20H,5-9H2,1-4H3,(H2,17,21)
InChIKeyDOEWVDMSBQYBRC-UHFFFAOYSA-N
MW343.42 g/mol
LogP-0.45
Rot. Bonds9

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

2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoate (PubChem CID 14618024) 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)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoate.

Molecular Properties

Compound Name2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoate
PubChem CID14618024
Molecular FormulaC16H29N3O5
Molecular Weight343.42 g/mol
Exact Mass343.21
IUPAC Name2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoate
SMILESCC(C)COC(=O)CC(O)CN1CC(=O)N(CC(N)=O)C1C(C)C
InChIInChI=1S/C16H29N3O5/c1-10(2)9-24-15(23)5-12(20)6-18-8-14(22)19(7-13(17)21)16(18)11(3)4/h10-12,16,20H,5-9H2,1-4H3,(H2,17,21)
InChIKeyDOEWVDMSBQYBRC-UHFFFAOYSA-N
XLogP-0.45
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 ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoate?
The IUPAC name of 2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoate (CID 14618024) is 2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoate.
What is the SMILES notation for 2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoate?
The canonical SMILES for 2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoate is CC(C)COC(=O)CC(O)CN1CC(=O)N(CC(N)=O)C1C(C)C.
What is the InChIKey of 2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoate?
The InChIKey is DOEWVDMSBQYBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O5/c1-10(2)9-24-15(23)5-12(20)6-18-8-14(22)19(7-13(17)21)16(18)11(3)4/h10-12,16,20H,5-9H2,1-4H3,(H2,17,21).
What are the key properties of 2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoate?
2-methylpropyl 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoate has a molecular weight of 343.42 g/mol, XLogP of -0.45, 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)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoate is sourced from PubChem (CID 14618024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).