2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid

C12H20N2O3 — CID 55097181

IUPAC2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C12H20N2O3/c1-8(11(15)16)14(5)7-10-13-6-9(17-10)12(2,3)4/h6,8H,7H2,1-5H3,(H,15,16)
InChIKeyIICTXIZLTMBQCG-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.88
Rot. Bonds4

About 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid

2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid (PubChem CID 55097181) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid
PubChem CID55097181
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C12H20N2O3/c1-8(11(15)16)14(5)7-10-13-6-9(17-10)12(2,3)4/h6,8H,7H2,1-5H3,(H,15,16)
InChIKeyIICTXIZLTMBQCG-UHFFFAOYSA-N
XLogP1.88
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid
CID 104876270
2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid
CID 122067483
2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid
CID 62637074
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 43465803
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62015365
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-pentan-3-ylamino]ethanol
CID 62015490
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoic acid
CID 62637417
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid
CID 62637255
(2S)-2-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]-3-methylbutanoic acid
CID 110835089
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]benzoic acid
CID 43352332
4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673692
2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride
CID 119913007

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid?
The IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid (CID 55097181) is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid?
The canonical SMILES for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid is CC(C(=O)O)N(C)Cc1ncc(C(C)(C)C)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid?
The InChIKey is IICTXIZLTMBQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(11(15)16)14(5)7-10-13-6-9(17-10)12(2,3)4/h6,8H,7H2,1-5H3,(H,15,16).
What are the key properties of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid?
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid has a molecular weight of 240.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid is sourced from PubChem (CID 55097181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).