4-methyl-4-(2-oxoimidazolidin-1-yl)pentanoic acid

C9H16N2O3 — CID 62049282

IUPAC4-methyl-4-(2-oxoimidazolidin-1-yl)pentanoic acid
SMILESCC(C)(CCC(=O)O)N1CCNC1=O
InChIInChI=1S/C9H16N2O3/c1-9(2,4-3-7(12)13)11-6-5-10-8(11)14/h3-6H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyNYNQGVPXFOARPD-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.65
Rot. Bonds4

About 4-methyl-4-(2-oxoimidazolidin-1-yl)pentanoic acid

4-methyl-4-(2-oxoimidazolidin-1-yl)pentanoic acid (PubChem CID 62049282) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-methyl-4-(2-oxoimidazolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(2-oxoimidazolidin-1-yl)pentanoic acid
PubChem CID62049282
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name4-methyl-4-(2-oxoimidazolidin-1-yl)pentanoic acid
SMILESCC(C)(CCC(=O)O)N1CCNC1=O
InChIInChI=1S/C9H16N2O3/c1-9(2,4-3-7(12)13)11-6-5-10-8(11)14/h3-6H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyNYNQGVPXFOARPD-UHFFFAOYSA-N
XLogP0.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1-(diisopropylcarbamoyl)-4-(methylamino)pyrrolidine-3-carboxylic acid
CID 5278242
4-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62048719
4-Methyl-4-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid
CID 62049085
4-[(3-Fluoro-3-methylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 122022967
(4R)-4-[5-(tert-butylamino)pentylcarbamoylamino]pentanoic acid
CID 58502661
(2S)-2-amino-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 67154448
3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid
CID 67886314
2-Imidazolidin-1-yl-2-methylpentanoic acid
CID 70118426
3,3-Dimethyl-4-(2-oxoimidazolidin-1-yl)butanoic acid
CID 70247877
4-(2-Oxoimidazolidin-1-yl)hexanoic acid
CID 70424247
2-Amino-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 70945302
4-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]butanoic acid
CID 90993481

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2-oxoimidazolidin-1-yl)pentanoic acid?
The IUPAC name of 4-methyl-4-(2-oxoimidazolidin-1-yl)pentanoic acid (CID 62049282) is 4-methyl-4-(2-oxoimidazolidin-1-yl)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(2-oxoimidazolidin-1-yl)pentanoic acid?
The canonical SMILES for 4-methyl-4-(2-oxoimidazolidin-1-yl)pentanoic acid is CC(C)(CCC(=O)O)N1CCNC1=O.
What is the InChIKey of 4-methyl-4-(2-oxoimidazolidin-1-yl)pentanoic acid?
The InChIKey is NYNQGVPXFOARPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,4-3-7(12)13)11-6-5-10-8(11)14/h3-6H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 4-methyl-4-(2-oxoimidazolidin-1-yl)pentanoic acid?
4-methyl-4-(2-oxoimidazolidin-1-yl)pentanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2-oxoimidazolidin-1-yl)pentanoic acid is sourced from PubChem (CID 62049282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).