3-amino-3-(3-ethylimidazol-4-yl)propanoic acid

C8H13N3O2 — CID 66132745

IUPAC3-amino-3-(3-ethylimidazol-4-yl)propanoic acid
SMILESCCn1cncc1C(N)CC(=O)O
InChIInChI=1S/C8H13N3O2/c1-2-11-5-10-4-7(11)6(9)3-8(12)13/h4-6H,2-3,9H2,1H3,(H,12,13)
InChIKeyXLFFKLJZDZFTBD-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.38
Rot. Bonds4

About 3-amino-3-(3-ethylimidazol-4-yl)propanoic acid

3-amino-3-(3-ethylimidazol-4-yl)propanoic acid (PubChem CID 66132745) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-amino-3-(3-ethylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(3-ethylimidazol-4-yl)propanoic acid
PubChem CID66132745
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-amino-3-(3-ethylimidazol-4-yl)propanoic acid
SMILESCCn1cncc1C(N)CC(=O)O
InChIInChI=1S/C8H13N3O2/c1-2-11-5-10-4-7(11)6(9)3-8(12)13/h4-6H,2-3,9H2,1H3,(H,12,13)
InChIKeyXLFFKLJZDZFTBD-UHFFFAOYSA-N
XLogP0.38
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylimidazol-4-yl)propanoic acid
CID 83873746
(3R)-3-(3-ethylimidazol-4-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 103696699
2-amino-1-(3-ethylimidazol-4-yl)butan-1-ol
CID 66133374
3-(3-ethylimidazol-4-yl)-3-morpholin-4-ylpropanoic acid
CID 66133322
ethyl 3-(diethylamino)-3-(3-ethylimidazol-4-yl)propanoate
CID 66133938
2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid
CID 66133106
2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol
CID 115347562
1-(3-ethylimidazol-4-yl)-3-methylbut-2-en-1-ol
CID 79190582
3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-N,N-dimethylpropanamide
CID 104942516
N-[2-[5-[(1R)-1-aminopropyl]imidazol-1-yl]ethyl]acetamide
CID 104942230
2-(3-ethylimidazol-4-yl)-2-(prop-2-enylamino)acetic acid
CID 66135347
ethyl 2-[(3-ethylimidazol-4-yl)-hydroxymethyl]-3-methylbutanoate
CID 66134341

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-ethylimidazol-4-yl)propanoic acid?
The IUPAC name of 3-amino-3-(3-ethylimidazol-4-yl)propanoic acid (CID 66132745) is 3-amino-3-(3-ethylimidazol-4-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(3-ethylimidazol-4-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(3-ethylimidazol-4-yl)propanoic acid is CCn1cncc1C(N)CC(=O)O.
What is the InChIKey of 3-amino-3-(3-ethylimidazol-4-yl)propanoic acid?
The InChIKey is XLFFKLJZDZFTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-11-5-10-4-7(11)6(9)3-8(12)13/h4-6H,2-3,9H2,1H3,(H,12,13).
What are the key properties of 3-amino-3-(3-ethylimidazol-4-yl)propanoic acid?
3-amino-3-(3-ethylimidazol-4-yl)propanoic acid has a molecular weight of 183.21 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-ethylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 66132745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).