4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoic acid

C12H21N3O5 — CID 67895455

IUPAC4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoic acid
SMILESCC(C)C1N(CC(O)CC(=O)O)CC(=O)N1CC(N)=O
InChIInChI=1S/C12H21N3O5/c1-7(2)12-14(4-8(16)3-11(19)20)6-10(18)15(12)5-9(13)17/h7-8,12,16H,3-6H2,1-2H3,(H2,13,17)(H,19,20)
InChIKeyKWPGXCPSUHNNFK-UHFFFAOYSA-N
MW287.32 g/mol
LogP-1.57
Rot. Bonds7

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

4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoic acid (PubChem CID 67895455) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoic acid
PubChem CID67895455
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoic acid
SMILESCC(C)C1N(CC(O)CC(=O)O)CC(=O)N1CC(N)=O
InChIInChI=1S/C12H21N3O5/c1-7(2)12-14(4-8(16)3-11(19)20)6-10(18)15(12)5-9(13)17/h7-8,12,16H,3-6H2,1-2H3,(H2,13,17)(H,19,20)
InChIKeyKWPGXCPSUHNNFK-UHFFFAOYSA-N
XLogP-1.57
TPSA124.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoic acid?
The IUPAC name of 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoic acid (CID 67895455) is 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoic acid is CC(C)C1N(CC(O)CC(=O)O)CC(=O)N1CC(N)=O.
What is the InChIKey of 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoic acid?
The InChIKey is KWPGXCPSUHNNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-7(2)12-14(4-8(16)3-11(19)20)6-10(18)15(12)5-9(13)17/h7-8,12,16H,3-6H2,1-2H3,(H2,13,17)(H,19,20).
What are the key properties of 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoic acid?
4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoic acid has a molecular weight of 287.32 g/mol, XLogP of -1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoic acid is sourced from PubChem (CID 67895455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).