3-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]propanoic acid

C12H18N2O3 — CID 115042545

IUPAC3-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]propanoic acid
SMILESCc1[nH]c(C2(C)CCCO2)nc1CCC(=O)O
InChIInChI=1S/C12H18N2O3/c1-8-9(4-5-10(15)16)14-11(13-8)12(2)6-3-7-17-12/h3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyUTJNNIZGAOPCMM-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.76
Rot. Bonds4

About 3-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]propanoic acid

3-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]propanoic acid (PubChem CID 115042545) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]propanoic acid
PubChem CID115042545
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]propanoic acid
SMILESCc1[nH]c(C2(C)CCCO2)nc1CCC(=O)O
InChIInChI=1S/C12H18N2O3/c1-8-9(4-5-10(15)16)14-11(13-8)12(2)6-3-7-17-12/h3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyUTJNNIZGAOPCMM-UHFFFAOYSA-N
XLogP1.76
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]ethanamine
CID 115026556
5,6-dimethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione
CID 106476782
5-methyl-2-(2-methyloxan-2-yl)-1H-imidazole-4-carbaldehyde
CID 115025833
3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid
CID 115034900
5-ethyl-6-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106476858
4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691519
3-bromo-5-(2-methyloxolan-2-yl)-1H-1,2,4-triazole
CID 115038651
4-(methoxymethyl)-2-(2-methyloxolan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114373810
5-bromo-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80689849
2-(2-methyloxolan-2-yl)-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione
CID 106482583
3-[2-(4-ethylphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82300460
2-[2-(3-methyloxan-3-yl)-1H-imidazol-5-yl]acetic acid
CID 115034390

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]propanoic acid?
The IUPAC name of 3-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]propanoic acid (CID 115042545) is 3-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]propanoic acid?
The canonical SMILES for 3-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]propanoic acid is Cc1[nH]c(C2(C)CCCO2)nc1CCC(=O)O.
What is the InChIKey of 3-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]propanoic acid?
The InChIKey is UTJNNIZGAOPCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-9(4-5-10(15)16)14-11(13-8)12(2)6-3-7-17-12/h3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]propanoic acid?
3-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]propanoic acid has a molecular weight of 238.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]propanoic acid is sourced from PubChem (CID 115042545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).