2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid

C11H19N3O2 — CID 62737156

IUPAC2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1nccn1CC
InChIInChI=1S/C11H19N3O2/c1-3-6-13(9-11(15)16)8-10-12-5-7-14(10)4-2/h5,7H,3-4,6,8-9H2,1-2H3,(H,15,16)
InChIKeyGFQBDYOAIKEQEQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.20
Rot. Bonds7

About 2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid

2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid (PubChem CID 62737156) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid
PubChem CID62737156
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1nccn1CC
InChIInChI=1S/C11H19N3O2/c1-3-6-13(9-11(15)16)8-10-12-5-7-14(10)4-2/h5,7H,3-4,6,8-9H2,1-2H3,(H,15,16)
InChIKeyGFQBDYOAIKEQEQ-UHFFFAOYSA-N
XLogP1.20
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid
CID 55148594
4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one
CID 79745031
3-[N-[(1-ethylimidazol-2-yl)methyl]-4-methylanilino]propanoic acid
CID 62736050
2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid
CID 61006750
4-[(1-ethylimidazol-2-yl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66251901
ethyl 2-[(1-ethylimidazol-2-yl)methyl-prop-2-enylamino]acetate
CID 78990097
2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 86927857
(2S)-2-amino-6-[bis[(1-propylimidazol-2-yl)methyl]amino]hexanoic acid
CID 70867288
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
2-[(1-methylimidazol-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79277151
4-[[4,5-dihydro-1H-imidazol-2-ylmethyl-[(1-ethylimidazol-2-yl)methyl]amino]methyl]-N-[4-[(dipropylamino)methyl]phenyl]benzamide
CID 71218653
2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol
CID 62735874

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid (CID 62737156) is 2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid is CCCN(CC(=O)O)Cc1nccn1CC.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid?
The InChIKey is GFQBDYOAIKEQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-6-13(9-11(15)16)8-10-12-5-7-14(10)4-2/h5,7H,3-4,6,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid?
2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid has a molecular weight of 225.29 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid is sourced from PubChem (CID 62737156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).