2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid

C12H22N4O2 — CID 63026829

IUPAC2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid
SMILESCCNC(C)(CN(C)Cc1nccn1C)C(=O)O
InChIInChI=1S/C12H22N4O2/c1-5-14-12(2,11(17)18)9-15(3)8-10-13-6-7-16(10)4/h6-7,14H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyOPOORLVGYDISBR-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.30
Rot. Bonds7

About 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid

2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid (PubChem CID 63026829) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid
PubChem CID63026829
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid
SMILESCCNC(C)(CN(C)Cc1nccn1C)C(=O)O
InChIInChI=1S/C12H22N4O2/c1-5-14-12(2,11(17)18)9-15(3)8-10-13-6-7-16(10)4/h6-7,14H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyOPOORLVGYDISBR-UHFFFAOYSA-N
XLogP0.30
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide
CID 63024945
ethyl 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 63024944
methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 63025456
methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate
CID 64704572
N-tert-butyl-N',2,2-trimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024792
2-amino-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-phenylpropanoic acid
CID 63024592
N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 63024969
2-cyclopropyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propylamino)propan-1-ol
CID 64789493
2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal
CID 63024609
methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 62011854
N-tert-butyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025347
2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024794

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid (CID 63026829) is 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid is CCNC(C)(CN(C)Cc1nccn1C)C(=O)O.
What is the InChIKey of 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid?
The InChIKey is OPOORLVGYDISBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-14-12(2,11(17)18)9-15(3)8-10-13-6-7-16(10)4/h6-7,14H,5,8-9H2,1-4H3,(H,17,18).
What are the key properties of 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid?
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid has a molecular weight of 254.33 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 63026829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).