methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate

C14H22N2O3 — CID 104578651

IUPACmethyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate
SMILESCCC(C)C(NCc1ccc(OC)nc1)C(=O)OC
InChIInChI=1S/C14H22N2O3/c1-5-10(2)13(14(17)19-4)16-9-11-6-7-12(18-3)15-8-11/h6-8,10,13,16H,5,9H2,1-4H3
InChIKeyMRSAQCVRSLBMRL-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.77
Rot. Bonds7

About methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate

methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate (PubChem CID 104578651) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate
PubChem CID104578651
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate
SMILESCCC(C)C(NCc1ccc(OC)nc1)C(=O)OC
InChIInChI=1S/C14H22N2O3/c1-5-10(2)13(14(17)19-4)16-9-11-6-7-12(18-3)15-8-11/h6-8,10,13,16H,5,9H2,1-4H3
InChIKeyMRSAQCVRSLBMRL-UHFFFAOYSA-N
XLogP1.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate
CID 113292334
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989922
2-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 60711228
methyl (2S)-2-(benzylamino)-3-methylpentanoate
CID 71027070
methyl 2-[[4-(difluoromethyl)phenyl]methylamino]-3-methylpentanoate
CID 115523737
methyl 2-[(3,4-dimethylphenyl)methylamino]-3-methylpentanoate
CID 43788486
3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide
CID 81087037
1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 103271063
N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine
CID 63946078
methyl 2-[(5-bromo-3-pyridinyl)methylamino]-3-methylpentanoate
CID 104578656
2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide
CID 60711152
methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate
CID 14444193

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate?
The IUPAC name of methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate (CID 104578651) is methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate is CCC(C)C(NCc1ccc(OC)nc1)C(=O)OC.
What is the InChIKey of methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate?
The InChIKey is MRSAQCVRSLBMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-10(2)13(14(17)19-4)16-9-11-6-7-12(18-3)15-8-11/h6-8,10,13,16H,5,9H2,1-4H3.
What are the key properties of methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate?
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate has a molecular weight of 266.34 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate is sourced from PubChem (CID 104578651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).