2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid

C10H15N3O3 — CID 65173163

IUPAC2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid
SMILESCCCNC(=O)Cn1c(C(=O)O)cnc1C
InChIInChI=1S/C10H15N3O3/c1-3-4-11-9(14)6-13-7(2)12-5-8(13)10(15)16/h5H,3-4,6H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyRZNMXIZPNKQHCB-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.42
Rot. Bonds5

About 2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid

2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid (PubChem CID 65173163) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid
PubChem CID65173163
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid
SMILESCCCNC(=O)Cn1c(C(=O)O)cnc1C
InChIInChI=1S/C10H15N3O3/c1-3-4-11-9(14)6-13-7(2)12-5-8(13)10(15)16/h5H,3-4,6H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyRZNMXIZPNKQHCB-UHFFFAOYSA-N
XLogP0.42
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(butylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid
CID 65172698
3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid
CID 65172485
3-dodecyl-2-methylimidazole-4-carboxylic acid
CID 65173160
methyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate
CID 65172997
2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
CID 43567559
3-(2-ethoxyethyl)-2-methylimidazole-4-carboxylic acid
CID 65172635
methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate
CID 65173047
3-(2-butoxyethyl)-2-methylimidazole-4-carboxylic acid
CID 65172646
N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028516
3-(2-ethylhexyl)-2-methylimidazole-4-carboxylic acid
CID 65172481
2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 66310497
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 66341596

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid (CID 65173163) is 2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid is CCCNC(=O)Cn1c(C(=O)O)cnc1C.
What is the InChIKey of 2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid?
The InChIKey is RZNMXIZPNKQHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-4-11-9(14)6-13-7(2)12-5-8(13)10(15)16/h5H,3-4,6H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid?
2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 65173163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).