methyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methylamino]-4-methylpentanoate

C16H26N2O3 — CID 90914408

IUPACmethyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methylamino]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)N(C)c1ncc(C)c(OC)c1C
InChIInChI=1S/C16H26N2O3/c1-10(2)8-13(16(19)21-7)18(5)15-12(4)14(20-6)11(3)9-17-15/h9-10,13H,8H2,1-7H3/t13-/m1/s1
InChIKeyUAVAODCKVMNWBF-CYBMUJFWSA-N
MW294.40 g/mol
LogP2.73
Rot. Bonds6

About methyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methylamino]-4-methylpentanoate

methyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methylamino]-4-methylpentanoate (PubChem CID 90914408) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is methyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methylamino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methylamino]-4-methylpentanoate
PubChem CID90914408
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Namemethyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methylamino]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)N(C)c1ncc(C)c(OC)c1C
InChIInChI=1S/C16H26N2O3/c1-10(2)8-13(16(19)21-7)18(5)15-12(4)14(20-6)11(3)9-17-15/h9-10,13H,8H2,1-7H3/t13-/m1/s1
InChIKeyUAVAODCKVMNWBF-CYBMUJFWSA-N
XLogP2.73
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methylamino]-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methylamino]-4-methylpentanoate (CID 90914408) is methyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methylamino]-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methylamino]-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methylamino]-4-methylpentanoate is COC(=O)[C@@H](CC(C)C)N(C)c1ncc(C)c(OC)c1C.
What is the InChIKey of methyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methylamino]-4-methylpentanoate?
The InChIKey is UAVAODCKVMNWBF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-10(2)8-13(16(19)21-7)18(5)15-12(4)14(20-6)11(3)9-17-15/h9-10,13H,8H2,1-7H3/t13-/m1/s1.
What are the key properties of methyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methylamino]-4-methylpentanoate?
methyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methylamino]-4-methylpentanoate has a molecular weight of 294.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methylamino]-4-methylpentanoate is sourced from PubChem (CID 90914408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).