methyl 4-amino-5-(2-methyl-1H-imidazol-5-yl)pentanoate

C10H17N3O2 — CID 62962953

IUPACmethyl 4-amino-5-(2-methyl-1H-imidazol-5-yl)pentanoate
SMILESCOC(=O)CCC(N)Cc1cnc(C)[nH]1
InChIInChI=1S/C10H17N3O2/c1-7-12-6-9(13-7)5-8(11)3-4-10(14)15-2/h6,8H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyVTFIPHBQBRCZOI-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.54
Rot. Bonds5

About methyl 4-amino-5-(2-methyl-1H-imidazol-5-yl)pentanoate

methyl 4-amino-5-(2-methyl-1H-imidazol-5-yl)pentanoate (PubChem CID 62962953) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 4-amino-5-(2-methyl-1H-imidazol-5-yl)pentanoate.

Molecular Properties

Compound Namemethyl 4-amino-5-(2-methyl-1H-imidazol-5-yl)pentanoate
PubChem CID62962953
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl 4-amino-5-(2-methyl-1H-imidazol-5-yl)pentanoate
SMILESCOC(=O)CCC(N)Cc1cnc(C)[nH]1
InChIInChI=1S/C10H17N3O2/c1-7-12-6-9(13-7)5-8(11)3-4-10(14)15-2/h6,8H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyVTFIPHBQBRCZOI-UHFFFAOYSA-N
XLogP0.54
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-(2-methyl-1H-imidazol-5-yl)pentanoate?
The IUPAC name of methyl 4-amino-5-(2-methyl-1H-imidazol-5-yl)pentanoate (CID 62962953) is methyl 4-amino-5-(2-methyl-1H-imidazol-5-yl)pentanoate.
What is the SMILES notation for methyl 4-amino-5-(2-methyl-1H-imidazol-5-yl)pentanoate?
The canonical SMILES for methyl 4-amino-5-(2-methyl-1H-imidazol-5-yl)pentanoate is COC(=O)CCC(N)Cc1cnc(C)[nH]1.
What is the InChIKey of methyl 4-amino-5-(2-methyl-1H-imidazol-5-yl)pentanoate?
The InChIKey is VTFIPHBQBRCZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-12-6-9(13-7)5-8(11)3-4-10(14)15-2/h6,8H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of methyl 4-amino-5-(2-methyl-1H-imidazol-5-yl)pentanoate?
methyl 4-amino-5-(2-methyl-1H-imidazol-5-yl)pentanoate has a molecular weight of 211.26 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-(2-methyl-1H-imidazol-5-yl)pentanoate is sourced from PubChem (CID 62962953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).