2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid

C11H19N3O2 — CID 165495562

IUPAC2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid
SMILESCCNC(C(=O)O)C(C)n1ccnc1CC
InChIInChI=1S/C11H19N3O2/c1-4-9-13-6-7-14(9)8(3)10(11(15)16)12-5-2/h6-8,10,12H,4-5H2,1-3H3,(H,15,16)
InChIKeyOKRQUVRRDSLGCM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.07
Rot. Bonds6

About 2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid

2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid (PubChem CID 165495562) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid
PubChem CID165495562
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid
SMILESCCNC(C(=O)O)C(C)n1ccnc1CC
InChIInChI=1S/C11H19N3O2/c1-4-9-13-6-7-14(9)8(3)10(11(15)16)12-5-2/h6-8,10,12H,4-5H2,1-3H3,(H,15,16)
InChIKeyOKRQUVRRDSLGCM-UHFFFAOYSA-N
XLogP1.07
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide
CID 165475254
2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanoic acid
CID 62221450
4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64703484
2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide
CID 63810997
2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine
CID 62442957
N-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine
CID 55072805
2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanoic acid
CID 66403064
2-(2-ethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one
CID 61404917
methyl 2-(ethylamino)-4-(2-ethylimidazol-1-yl)butanoate
CID 55143375
2-ethyl-1-heptan-4-ylimidazole
CID 91216339
2-[2-(2,2-dimethylpropyl)imidazol-1-yl]propanoic acid
CID 59352048
2-(ethylamino)-4-(2-methylimidazol-1-yl)butanoic acid
CID 63038987

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid?
The IUPAC name of 2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid (CID 165495562) is 2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid.
What is the SMILES notation for 2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid?
The canonical SMILES for 2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid is CCNC(C(=O)O)C(C)n1ccnc1CC.
What is the InChIKey of 2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid?
The InChIKey is OKRQUVRRDSLGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-9-13-6-7-14(9)8(3)10(11(15)16)12-5-2/h6-8,10,12H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid?
2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid is sourced from PubChem (CID 165495562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).