2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid

C12H21N3O2 — CID 66130451

IUPAC2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid
SMILESCCCn1cncc1C(C(=O)O)N(CC)CC
InChIInChI=1S/C12H21N3O2/c1-4-7-15-9-13-8-10(15)11(12(16)17)14(5-2)6-3/h8-9,11H,4-7H2,1-3H3,(H,16,17)
InChIKeyIKRNYRRXJVASIH-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.76
Rot. Bonds7

About 2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid

2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid (PubChem CID 66130451) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid
PubChem CID66130451
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid
SMILESCCCn1cncc1C(C(=O)O)N(CC)CC
InChIInChI=1S/C12H21N3O2/c1-4-7-15-9-13-8-10(15)11(12(16)17)14(5-2)6-3/h8-9,11H,4-7H2,1-3H3,(H,16,17)
InChIKeyIKRNYRRXJVASIH-UHFFFAOYSA-N
XLogP1.76
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid
CID 66129427
2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid
CID 66133106
N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131396
2-(2-methylpropylamino)-2-(3-propylimidazol-4-yl)acetic acid
CID 66130024
3-propylimidazole-4-carboxylic acid
CID 45082087
2,2-difluoro-3-hydroxy-3-(3-propylimidazol-4-yl)propanoic acid
CID 66131850
2-methyl-4-oxo-4-(3-propylimidazol-4-yl)butanoic acid
CID 66142305
(3S)-3-acetamido-3-(3-propylimidazol-4-yl)propanoic acid
CID 66133349
(2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid
CID 54225588
methyl 3-(ethylamino)-3-(3-propylimidazol-4-yl)propanoate
CID 66131265
2-(3-ethylimidazol-4-yl)propanoic acid
CID 83873746
2-amino-1-(3-propylimidazol-4-yl)butan-1-ol
CID 66129932

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid?
The IUPAC name of 2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid (CID 66130451) is 2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid.
What is the SMILES notation for 2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid?
The canonical SMILES for 2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid is CCCn1cncc1C(C(=O)O)N(CC)CC.
What is the InChIKey of 2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid?
The InChIKey is IKRNYRRXJVASIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-7-15-9-13-8-10(15)11(12(16)17)14(5-2)6-3/h8-9,11H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid?
2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid has a molecular weight of 239.32 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid is sourced from PubChem (CID 66130451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).