(2-amino-5-methylimidazol-1-yl) propanoate

C7H11N3O2 — CID 57025374

IUPAC(2-amino-5-methylimidazol-1-yl) propanoate
SMILESCCC(=O)On1c(C)cnc1N
InChIInChI=1S/C7H11N3O2/c1-3-6(11)12-10-5(2)4-9-7(10)8/h4H,3H2,1-2H3,(H2,8,9)
InChIKeyUCNAMZGYBBZAAA-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.14
Rot. Bonds2

About (2-amino-5-methylimidazol-1-yl) propanoate

(2-amino-5-methylimidazol-1-yl) propanoate (PubChem CID 57025374) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is (2-amino-5-methylimidazol-1-yl) propanoate.

Molecular Properties

Compound Name(2-amino-5-methylimidazol-1-yl) propanoate
PubChem CID57025374
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name(2-amino-5-methylimidazol-1-yl) propanoate
SMILESCCC(=O)On1c(C)cnc1N
InChIInChI=1S/C7H11N3O2/c1-3-6(11)12-10-5(2)4-9-7(10)8/h4H,3H2,1-2H3,(H2,8,9)
InChIKeyUCNAMZGYBBZAAA-UHFFFAOYSA-N
XLogP0.14
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-1H-imidazol-1-yl)acetic acid
CID 45156967
[(Z)-[amino-(3-methylimidazol-4-yl)methylidene]amino] acetate
CID 44410010
[(Z)-[amino-(3-methylimidazol-4-yl)methylidene]amino] butanoate
CID 44410011
[(Z)-[amino-(3-methylimidazol-4-yl)methylidene]amino] 2,2-dimethylpropanoate
CID 44410022
methyl 3-(1-methyl-1H-imidazol-5-yl)prop-2-ynoate
CID 103512298
N-methoxy-4-methylimidazole
CID 23405641
2-(4-Methylimidazol-1-yl)acetic acid
CID 54526301
4-Methyl-1h-imidazol-1-ol 3-oxide
CID 90482
2-Ethyl-4-methyl imidazole acetate
CID 20518046
(4-Methylimidazol-1-yl) 2,2,2-trifluoroacetate
CID 140576724
[4-(Trifluoromethyl)imidazol-1-yl] acetate
CID 153733046
[5-(Fluoromethyl)-1-methylimidazol-2-yl]-hydroxyazanium
CID 165113323

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylimidazol-1-yl) propanoate?
The IUPAC name of (2-amino-5-methylimidazol-1-yl) propanoate (CID 57025374) is (2-amino-5-methylimidazol-1-yl) propanoate.
What is the SMILES notation for (2-amino-5-methylimidazol-1-yl) propanoate?
The canonical SMILES for (2-amino-5-methylimidazol-1-yl) propanoate is CCC(=O)On1c(C)cnc1N.
What is the InChIKey of (2-amino-5-methylimidazol-1-yl) propanoate?
The InChIKey is UCNAMZGYBBZAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-6(11)12-10-5(2)4-9-7(10)8/h4H,3H2,1-2H3,(H2,8,9).
What are the key properties of (2-amino-5-methylimidazol-1-yl) propanoate?
(2-amino-5-methylimidazol-1-yl) propanoate has a molecular weight of 169.18 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylimidazol-1-yl) propanoate is sourced from PubChem (CID 57025374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).