2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid

C12H21N3O2 — CID 63065726

IUPAC2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CCCn1ccnc1)CC(=O)O
InChIInChI=1S/C12H21N3O2/c1-11(2)8-15(9-12(16)17)6-3-5-14-7-4-13-10-14/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeySAEXZMUJWVTAQZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.32
Rot. Bonds8

About 2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid

2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid (PubChem CID 63065726) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid
PubChem CID63065726
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CCCn1ccnc1)CC(=O)O
InChIInChI=1S/C12H21N3O2/c1-11(2)8-15(9-12(16)17)6-3-5-14-7-4-13-10-14/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeySAEXZMUJWVTAQZ-UHFFFAOYSA-N
XLogP1.32
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid
CID 82328294
3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
CID 61492835
3-[ethyl(2-imidazol-1-ylethyl)amino]-2-methylpropanoic acid
CID 62852980
1-(7-methyloctyl)imidazole
CID 59001100
1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol
CID 62334128
(3S)-8-imidazol-1-yl-3-methyloctanoic acid;hydrochloride
CID 70550250
3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid
CID 82323590
3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol
CID 71321684
3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid
CID 82323160
2-[3-imidazol-1-ylpropyl(methyl)amino]-N,N-dimethylpropanamide
CID 84592025
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
3-[3-imidazol-1-ylpropyl(3-methylbut-2-enoyl)amino]-2-methylpropanoic acid
CID 82326260

Frequently Asked Questions

What is the IUPAC name of 2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid (CID 63065726) is 2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid is CC(C)CN(CCCn1ccnc1)CC(=O)O.
What is the InChIKey of 2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid?
The InChIKey is SAEXZMUJWVTAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-11(2)8-15(9-12(16)17)6-3-5-14-7-4-13-10-14/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid?
2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid has a molecular weight of 239.32 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63065726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).