1-butyl-3-methyl-2H-imidazole;2,5-diamino-5-oxopentanoic acid

C13H26N4O3 — CID 174571112

IUPAC1-butyl-3-methyl-2H-imidazole;2,5-diamino-5-oxopentanoic acid
SMILESCCCCN1C=CN(C)C1.NC(=O)CCC(N)C(=O)O
InChIInChI=1S/C8H16N2.C5H10N2O3/c1-3-4-5-10-7-6-9(2)8-10;6-3(5(9)10)1-2-4(7)8/h6-7H,3-5,8H2,1-2H3;3H,1-2,6H2,(H2,7,8)(H,9,10)
InChIKeyVFMQQHRDSRRVNH-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.13
Rot. Bonds7

About 1-butyl-3-methyl-2H-imidazole;2,5-diamino-5-oxopentanoic acid

1-butyl-3-methyl-2H-imidazole;2,5-diamino-5-oxopentanoic acid (PubChem CID 174571112) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-imidazole;2,5-diamino-5-oxopentanoic acid.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-imidazole;2,5-diamino-5-oxopentanoic acid
PubChem CID174571112
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Name1-butyl-3-methyl-2H-imidazole;2,5-diamino-5-oxopentanoic acid
SMILESCCCCN1C=CN(C)C1.NC(=O)CCC(N)C(=O)O
InChIInChI=1S/C8H16N2.C5H10N2O3/c1-3-4-5-10-7-6-9(2)8-10;6-3(5(9)10)1-2-4(7)8/h6-7H,3-5,8H2,1-2H3;3H,1-2,6H2,(H2,7,8)(H,9,10)
InChIKeyVFMQQHRDSRRVNH-UHFFFAOYSA-N
XLogP0.13
TPSA112.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-3-methyl-2H-imidazole;tetrakis(carbonofluoridic acid)
CID 175410531
1-butyl-3-methyl-2H-imidazole
CID 10265934
1-butyl-3-methyl-2H-imidazole;phosphorous acid
CID 174659773
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929
1-methyl-3-nonadecyl-2H-imidazole
CID 69396698
1-hexyl-3-methyl-2H-imidazole
CID 18513318
tripotassium;1-butyl-3-methyl-2H-imidazole;hydride
CID 174886963
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
bis(butanedioate);1-butyl-3-methyl-2H-imidazole;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
CID 162291377
acetic acid;1,3-dibutyl-2H-imidazole
CID 174955065

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-imidazole;2,5-diamino-5-oxopentanoic acid?
The IUPAC name of 1-butyl-3-methyl-2H-imidazole;2,5-diamino-5-oxopentanoic acid (CID 174571112) is 1-butyl-3-methyl-2H-imidazole;2,5-diamino-5-oxopentanoic acid.
What is the SMILES notation for 1-butyl-3-methyl-2H-imidazole;2,5-diamino-5-oxopentanoic acid?
The canonical SMILES for 1-butyl-3-methyl-2H-imidazole;2,5-diamino-5-oxopentanoic acid is CCCCN1C=CN(C)C1.NC(=O)CCC(N)C(=O)O.
What is the InChIKey of 1-butyl-3-methyl-2H-imidazole;2,5-diamino-5-oxopentanoic acid?
The InChIKey is VFMQQHRDSRRVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C5H10N2O3/c1-3-4-5-10-7-6-9(2)8-10;6-3(5(9)10)1-2-4(7)8/h6-7H,3-5,8H2,1-2H3;3H,1-2,6H2,(H2,7,8)(H,9,10).
What are the key properties of 1-butyl-3-methyl-2H-imidazole;2,5-diamino-5-oxopentanoic acid?
1-butyl-3-methyl-2H-imidazole;2,5-diamino-5-oxopentanoic acid has a molecular weight of 286.38 g/mol, XLogP of 0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-imidazole;2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 174571112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).