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

C12H20N2O3 — CID 97095472

IUPACmethyl (3R)-3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate
SMILESCC[C@](C)(CC(=O)OC)NCc1cc(C)on1
InChIInChI=1S/C12H20N2O3/c1-5-12(3,7-11(15)16-4)13-8-10-6-9(2)17-14-10/h6,13H,5,7-8H2,1-4H3/t12-/m1/s1
InChIKeyYXORGFGGIJAMKM-GFCCVEGCSA-N
MW240.30 g/mol
LogP1.80
Rot. Bonds6

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

methyl (3R)-3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate (PubChem CID 97095472) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl (3R)-3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate.

Molecular Properties

Compound Namemethyl (3R)-3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate
PubChem CID97095472
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl (3R)-3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate
SMILESCC[C@](C)(CC(=O)OC)NCc1cc(C)on1
InChIInChI=1S/C12H20N2O3/c1-5-12(3,7-11(15)16-4)13-8-10-6-9(2)17-14-10/h6,13H,5,7-8H2,1-4H3/t12-/m1/s1
InChIKeyYXORGFGGIJAMKM-GFCCVEGCSA-N
XLogP1.80
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 47728425
methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate
CID 43624220
methyl (E)-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]prop-2-enoate
CID 103243724
methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate
CID 82316641
2-amino-3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 76923478
methyl (3S)-3-[(3-chloro-4-pyridinyl)methylamino]-3-methylpentanoate
CID 97025252
5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 47399039
N-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60695514
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid
CID 64669367
3-(2,2-dimethylbutyl)-5-methyl-1,2-oxazole
CID 155129451
(5-methyl-1,2-oxazol-3-yl)methylhydrazine
CID 66157923
3,4,5-trimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728397

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate?
The IUPAC name of methyl (3R)-3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate (CID 97095472) is methyl (3R)-3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate.
What is the SMILES notation for methyl (3R)-3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate?
The canonical SMILES for methyl (3R)-3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate is CC[C@](C)(CC(=O)OC)NCc1cc(C)on1.
What is the InChIKey of methyl (3R)-3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate?
The InChIKey is YXORGFGGIJAMKM-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-12(3,7-11(15)16-4)13-8-10-6-9(2)17-14-10/h6,13H,5,7-8H2,1-4H3/t12-/m1/s1.
What are the key properties of methyl (3R)-3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate?
methyl (3R)-3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate has a molecular weight of 240.30 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate is sourced from PubChem (CID 97095472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).