2-(5-oxo-2-propan-2-ylimidazolidin-1-yl)acetic acid

C8H14N2O3 — CID 14618020

IUPAC2-(5-oxo-2-propan-2-ylimidazolidin-1-yl)acetic acid
SMILESCC(C)C1NCC(=O)N1CC(=O)O
InChIInChI=1S/C8H14N2O3/c1-5(2)8-9-3-6(11)10(8)4-7(12)13/h5,8-9H,3-4H2,1-2H3,(H,12,13)
InChIKeyJRELQRLEUAWWHH-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.52
Rot. Bonds3

About 2-(5-oxo-2-propan-2-ylimidazolidin-1-yl)acetic acid

2-(5-oxo-2-propan-2-ylimidazolidin-1-yl)acetic acid (PubChem CID 14618020) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(5-oxo-2-propan-2-ylimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-oxo-2-propan-2-ylimidazolidin-1-yl)acetic acid
PubChem CID14618020
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-(5-oxo-2-propan-2-ylimidazolidin-1-yl)acetic acid
SMILESCC(C)C1NCC(=O)N1CC(=O)O
InChIInChI=1S/C8H14N2O3/c1-5(2)8-9-3-6(11)10(8)4-7(12)13/h5,8-9H,3-4H2,1-2H3,(H,12,13)
InChIKeyJRELQRLEUAWWHH-UHFFFAOYSA-N
XLogP-0.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-3-propylimidazolidin-4-one
CID 83241990
3-(2-methoxypropyl)-2-propan-2-ylimidazolidin-4-one
CID 102702006
3-(2-cyclopropylethyl)-2-propan-2-ylimidazolidin-4-one
CID 83258777
3-(cyclohexylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83244507
2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
CID 83260560
2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid
CID 576518
(2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid
CID 10512265
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetic acid
CID 10821883
3-octan-2-yl-2-propan-2-ylimidazolidin-4-one
CID 83246891
3-cycloheptyl-2-propan-2-ylimidazolidin-4-one
CID 83243721
2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 97000523
3-[5-(diethylamino)pentan-2-yl]-2-propan-2-ylimidazolidin-4-one
CID 83238825

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-2-propan-2-ylimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-(5-oxo-2-propan-2-ylimidazolidin-1-yl)acetic acid (CID 14618020) is 2-(5-oxo-2-propan-2-ylimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(5-oxo-2-propan-2-ylimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(5-oxo-2-propan-2-ylimidazolidin-1-yl)acetic acid is CC(C)C1NCC(=O)N1CC(=O)O.
What is the InChIKey of 2-(5-oxo-2-propan-2-ylimidazolidin-1-yl)acetic acid?
The InChIKey is JRELQRLEUAWWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5(2)8-9-3-6(11)10(8)4-7(12)13/h5,8-9H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-(5-oxo-2-propan-2-ylimidazolidin-1-yl)acetic acid?
2-(5-oxo-2-propan-2-ylimidazolidin-1-yl)acetic acid has a molecular weight of 186.21 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-2-propan-2-ylimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 14618020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).