2-methylpropyl 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoate

C11H20N2O4 — CID 56991131

IUPAC2-methylpropyl 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoate
SMILESCC(C)COC(=O)CCC1NC(=O)[C@H](CO)N1
InChIInChI=1S/C11H20N2O4/c1-7(2)6-17-10(15)4-3-9-12-8(5-14)11(16)13-9/h7-9,12,14H,3-6H2,1-2H3,(H,13,16)/t8-,9?/m0/s1
InChIKeyXFAGMVAEOVFIMS-IENPIDJESA-N
MW244.29 g/mol
LogP-0.63
Rot. Bonds6

About 2-methylpropyl 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoate

2-methylpropyl 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoate (PubChem CID 56991131) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methylpropyl 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoate.

Molecular Properties

Compound Name2-methylpropyl 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoate
PubChem CID56991131
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-methylpropyl 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoate
SMILESCC(C)COC(=O)CCC1NC(=O)[C@H](CO)N1
InChIInChI=1S/C11H20N2O4/c1-7(2)6-17-10(15)4-3-9-12-8(5-14)11(16)13-9/h7-9,12,14H,3-6H2,1-2H3,(H,13,16)/t8-,9?/m0/s1
InChIKeyXFAGMVAEOVFIMS-IENPIDJESA-N
XLogP-0.63
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methylpropyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate
CID 57194364
2-Methylpropyl 3-carbamoylmethyl-Beta-hydroxy2-(1-methylethyl)-4-oxo-1-imidazolidinebutanoate
CID 14618024
2-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid
CID 18647146
3-[4-(Hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid
CID 19770786
2-Methylpropyl 4-[[2-(2,2-dimethyl-4-oxoimidazolidin-1-yl)-2-oxoethyl]amino]-3-hydroxybutanoate
CID 20163718
Methyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate
CID 57008663
2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate
CID 57231664
[(2S)-3-[[2-[(4S)-4-(2-methoxy-2-oxoethyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2-methylpropanoyl]oxidanium
CID 59093838
4-[3-(2-Amino-2-oxoethyl)-4-oxo-2-propan-2-ylimidazolidin-1-yl]-3-hydroxybutanoic acid
CID 67895455
3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid
CID 67896828
2-Methylpropyl 4-[[2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-oxoethyl]amino]-3-hydroxybutanoate
CID 70348259
3-Hydroxy-4-(2-methyl-5-oxo-2-propan-2-ylimidazolidin-1-yl)butanoic acid
CID 70392499

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoate?
The IUPAC name of 2-methylpropyl 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoate (CID 56991131) is 2-methylpropyl 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoate.
What is the SMILES notation for 2-methylpropyl 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoate?
The canonical SMILES for 2-methylpropyl 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoate is CC(C)COC(=O)CCC1NC(=O)[C@H](CO)N1.
What is the InChIKey of 2-methylpropyl 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoate?
The InChIKey is XFAGMVAEOVFIMS-IENPIDJESA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(2)6-17-10(15)4-3-9-12-8(5-14)11(16)13-9/h7-9,12,14H,3-6H2,1-2H3,(H,13,16)/t8-,9?/m0/s1.
What are the key properties of 2-methylpropyl 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoate?
2-methylpropyl 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoate has a molecular weight of 244.29 g/mol, XLogP of -0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoate is sourced from PubChem (CID 56991131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).