methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate

C12H20N2O3 — CID 97069579

IUPACmethyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate
SMILESCOC(=O)[C@H](NCc1cc(C)no1)C(C)(C)C
InChIInChI=1S/C12H20N2O3/c1-8-6-9(17-14-8)7-13-10(11(15)16-5)12(2,3)4/h6,10,13H,7H2,1-5H3/t10-/m0/s1
InChIKeyBIOQIFMXPMMEMT-JTQLQIEISA-N
MW240.30 g/mol
LogP1.66
Rot. Bonds4

About methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate

methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate (PubChem CID 97069579) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate
PubChem CID97069579
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate
SMILESCOC(=O)[C@H](NCc1cc(C)no1)C(C)(C)C
InChIInChI=1S/C12H20N2O3/c1-8-6-9(17-14-8)7-13-10(11(15)16-5)12(2,3)4/h6,10,13H,7H2,1-5H3/t10-/m0/s1
InChIKeyBIOQIFMXPMMEMT-JTQLQIEISA-N
XLogP1.66
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate with MolForge

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Related Compounds

methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
CID 2747412
N-Methyl-3-(1-methylethyl)-5-isoxazolemethanamine
CID 25220772
Methyl[(3-methyl-1,2-oxazol-5-yl)methyl]amine hydrochloride
CID 45595353
2-[(3-Methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetamide
CID 53524899
N-(3-methylbutan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine
CID 53526799
Methyl 2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate
CID 53583821
Methyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate
CID 71918125
N-methyl-1-(3-methylisoxazol-5-yl)methanamine
CID 25220779
tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
CID 139228466
methyl (2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoate
CID 2747413
4-[(3-Methylisoxazol-5-yl)methyl]morpholine
CID 4692616
2-(((3-Methylisoxazol-5-yl)methyl)amino)ethanol
CID 13920999

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate?
The IUPAC name of methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate (CID 97069579) is methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate.
What is the SMILES notation for methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate?
The canonical SMILES for methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate is COC(=O)[C@H](NCc1cc(C)no1)C(C)(C)C.
What is the InChIKey of methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate?
The InChIKey is BIOQIFMXPMMEMT-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-6-9(17-14-8)7-13-10(11(15)16-5)12(2,3)4/h6,10,13H,7H2,1-5H3/t10-/m0/s1.
What are the key properties of methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate?
methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate has a molecular weight of 240.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate is sourced from PubChem (CID 97069579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).