2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-methylamino]-2-methylpropanoic acid

C12H20N2O3 — CID 110838488

IUPAC2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-methylamino]-2-methylpropanoic acid
SMILESCc1nc(C)c(C(C)N(C)C(C)(C)C(=O)O)o1
InChIInChI=1S/C12H20N2O3/c1-7-10(17-9(3)13-7)8(2)14(6)12(4,5)11(15)16/h8H,1-6H3,(H,15,16)
InChIKeyRZCGKNAZAHRNLV-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.15
Rot. Bonds4

About 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-methylamino]-2-methylpropanoic acid

2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-methylamino]-2-methylpropanoic acid (PubChem CID 110838488) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-methylamino]-2-methylpropanoic acid
PubChem CID110838488
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-methylamino]-2-methylpropanoic acid
SMILESCc1nc(C)c(C(C)N(C)C(C)(C)C(=O)O)o1
InChIInChI=1S/C12H20N2O3/c1-7-10(17-9(3)13-7)8(2)14(6)12(4,5)11(15)16/h8H,1-6H3,(H,15,16)
InChIKeyRZCGKNAZAHRNLV-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1,3-dimethylpyrazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 65196763
2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060736
methyl N-[2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-ethylamino]ethyl]carbamate;propane
CID 157486060
2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 110835201
2-[1-(1,3-benzodioxol-5-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 65061141
2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060788
2-[but-3-en-2-yl(methyl)amino]-2-methylpropanoic acid
CID 62819782
N-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680084
2-methyl-2-[methyl-(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 65061275
2-methyl-2-[methyl-[1-(2-nitrophenyl)ethyl]amino]propanoic acid
CID 65060790
N,2,4-trimethyl-N-phenyl-1,3-oxazole-5-carboxamide
CID 110684871
2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid
CID 65060590

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-methylamino]-2-methylpropanoic acid (CID 110838488) is 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-methylamino]-2-methylpropanoic acid is Cc1nc(C)c(C(C)N(C)C(C)(C)C(=O)O)o1.
What is the InChIKey of 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-methylamino]-2-methylpropanoic acid?
The InChIKey is RZCGKNAZAHRNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-7-10(17-9(3)13-7)8(2)14(6)12(4,5)11(15)16/h8H,1-6H3,(H,15,16).
What are the key properties of 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-methylamino]-2-methylpropanoic acid?
2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-methylamino]-2-methylpropanoic acid has a molecular weight of 240.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 110838488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).