3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid

C10H17N3O2 — CID 61492835

IUPAC3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
SMILESCN(CCCn1ccnc1)CCC(=O)O
InChIInChI=1S/C10H17N3O2/c1-12(7-3-10(14)15)5-2-6-13-8-4-11-9-13/h4,8-9H,2-3,5-7H2,1H3,(H,14,15)
InChIKeyHNUWURABEXJWJO-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.68
Rot. Bonds7

About 3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid

3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid (PubChem CID 61492835) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
PubChem CID61492835
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
SMILESCN(CCCn1ccnc1)CCC(=O)O
InChIInChI=1S/C10H17N3O2/c1-12(7-3-10(14)15)5-2-6-13-8-4-11-9-13/h4,8-9H,2-3,5-7H2,1H3,(H,14,15)
InChIKeyHNUWURABEXJWJO-UHFFFAOYSA-N
XLogP0.68
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid
CID 82323160
3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid
CID 82328294
3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid
CID 82323769
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol
CID 62334128
N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine
CID 107207249
3-imidazol-1-ylpropanoic acid;hydrate
CID 174578472
2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid
CID 43135799
2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine
CID 75435415
4-(3-imidazol-1-ylpropylcarbamoylamino)butanoic acid
CID 61184653
8-imidazol-1-yl-4,4-dimethyloctanoic acid;hydrochloride
CID 12870498
2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid
CID 126755730

Frequently Asked Questions

What is the IUPAC name of 3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid (CID 61492835) is 3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid is CN(CCCn1ccnc1)CCC(=O)O.
What is the InChIKey of 3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid?
The InChIKey is HNUWURABEXJWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-12(7-3-10(14)15)5-2-6-13-8-4-11-9-13/h4,8-9H,2-3,5-7H2,1H3,(H,14,15).
What are the key properties of 3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid?
3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid is sourced from PubChem (CID 61492835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).