2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid

C12H21N3O2 — CID 66130860

IUPAC2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid
SMILESCCCn1cncc1CN(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H21N3O2/c1-5-6-15-9-13-7-10(15)8-14(4)12(2,3)11(16)17/h7,9H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyAXXJBBIOWDWQMM-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.59
Rot. Bonds6

About 2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid

2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid (PubChem CID 66130860) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid
PubChem CID66130860
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid
SMILESCCCn1cncc1CN(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H21N3O2/c1-5-6-15-9-13-7-10(15)8-14(4)12(2,3)11(16)17/h7,9H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyAXXJBBIOWDWQMM-UHFFFAOYSA-N
XLogP1.59
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol
CID 104554083
3-propylimidazole-4-carboxylic acid
CID 45082087
(2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid
CID 54225588
ethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate
CID 66153811
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid
CID 66132929
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid
CID 103696814
2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine
CID 79660957
3-[(3-propylimidazol-4-yl)methylamino]propanoic acid
CID 66133554
1,1-dimethyl-3-[2-[(3-propylimidazol-4-yl)methylamino]ethyl]urea
CID 83116947
N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide
CID 114167185
2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid
CID 66130451
2,2-difluoro-3-hydroxy-3-(3-propylimidazol-4-yl)propanoic acid
CID 66131850

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid (CID 66130860) is 2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid is CCCn1cncc1CN(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid?
The InChIKey is AXXJBBIOWDWQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-6-15-9-13-7-10(15)8-14(4)12(2,3)11(16)17/h7,9H,5-6,8H2,1-4H3,(H,16,17).
What are the key properties of 2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid?
2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid has a molecular weight of 239.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 66130860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).