2-(oxolan-2-ylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid

C13H21N3O3 — CID 66163626

IUPAC2-(oxolan-2-ylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid
SMILESCC(C)n1cncc1C(NCC1CCCO1)C(=O)O
InChIInChI=1S/C13H21N3O3/c1-9(2)16-8-14-7-11(16)12(13(17)18)15-6-10-4-3-5-19-10/h7-10,12,15H,3-6H2,1-2H3,(H,17,18)
InChIKeyZPHNEAPTTGUWRD-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.36
Rot. Bonds6

About 2-(oxolan-2-ylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid

2-(oxolan-2-ylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid (PubChem CID 66163626) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid
PubChem CID66163626
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(oxolan-2-ylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid
SMILESCC(C)n1cncc1C(NCC1CCCO1)C(=O)O
InChIInChI=1S/C13H21N3O3/c1-9(2)16-8-14-7-11(16)12(13(17)18)15-6-10-4-3-5-19-10/h7-10,12,15H,3-6H2,1-2H3,(H,17,18)
InChIKeyZPHNEAPTTGUWRD-UHFFFAOYSA-N
XLogP1.36
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethylimidazol-4-yl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 66134514
2-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889959
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889961
2-(3-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 61347926
2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 79984283
2-(4-fluoro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 55038391
methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate
CID 54890054
2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one
CID 82100049
(2S)-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 30030430
2-(propan-2-ylamino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66162615
ethyl 2-(1-methylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)acetate
CID 54890518
methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 60994062

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid (CID 66163626) is 2-(oxolan-2-ylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid is CC(C)n1cncc1C(NCC1CCCO1)C(=O)O.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid?
The InChIKey is ZPHNEAPTTGUWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)16-8-14-7-11(16)12(13(17)18)15-6-10-4-3-5-19-10/h7-10,12,15H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-(oxolan-2-ylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid?
2-(oxolan-2-ylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid has a molecular weight of 267.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid is sourced from PubChem (CID 66163626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).