5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid

C11H21N3O2 — CID 174836743

IUPAC5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid
SMILESCCCCc1cnc(C)[nH]1.CNCC(=O)O
InChIInChI=1S/C8H14N2.C3H7NO2/c1-3-4-5-8-6-9-7(2)10-8;1-4-2-3(5)6/h6H,3-5H2,1-2H3,(H,9,10);4H,2H2,1H3,(H,5,6)
InChIKeyXZHJFBGMYXHBDN-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.35
Rot. Bonds5

About 5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid

5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid (PubChem CID 174836743) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid.

Molecular Properties

Compound Name5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid
PubChem CID174836743
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid
SMILESCCCCc1cnc(C)[nH]1.CNCC(=O)O
InChIInChI=1S/C8H14N2.C3H7NO2/c1-3-4-5-8-6-9-7(2)10-8;1-4-2-3(5)6/h6H,3-5H2,1-2H3,(H,9,10);4H,2H2,1H3,(H,5,6)
InChIKeyXZHJFBGMYXHBDN-UHFFFAOYSA-N
XLogP1.35
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 101179
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N-butyl-4-(1H-imidazol-5-yl)butan-1-amine
CID 11622495
N-Ethyl-4-(1H-imidazol-4-yl)butan-1-amine
CID 11694543
3-(1H-imidazol-4-yl)propylamine bis(trifluoroacetate)
CID 86659210
(2S)-2-{[(2S)-2-azaniumyl-3-(1H-imidazol-4-yl)propanoyl]amino}propanoate
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Histargin
CID 146414

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid?
The IUPAC name of 5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid (CID 174836743) is 5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid.
What is the SMILES notation for 5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid?
The canonical SMILES for 5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid is CCCCc1cnc(C)[nH]1.CNCC(=O)O.
What is the InChIKey of 5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid?
The InChIKey is XZHJFBGMYXHBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C3H7NO2/c1-3-4-5-8-6-9-7(2)10-8;1-4-2-3(5)6/h6H,3-5H2,1-2H3,(H,9,10);4H,2H2,1H3,(H,5,6).
What are the key properties of 5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid?
5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid has a molecular weight of 227.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid is sourced from PubChem (CID 174836743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).