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

C12H18N2O3 — CID 113292334

IUPACmethyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate
SMILESCCC(NCc1ccc(OC)nc1)C(=O)OC
InChIInChI=1S/C12H18N2O3/c1-4-10(12(15)17-3)13-7-9-5-6-11(16-2)14-8-9/h5-6,8,10,13H,4,7H2,1-3H3
InChIKeyCUINIFTZMZGOLE-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.13
Rot. Bonds6

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

methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate (PubChem CID 113292334) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate
PubChem CID113292334
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate
SMILESCCC(NCc1ccc(OC)nc1)C(=O)OC
InChIInChI=1S/C12H18N2O3/c1-4-10(12(15)17-3)13-7-9-5-6-11(16-2)14-8-9/h5-6,8,10,13H,4,7H2,1-3H3
InChIKeyCUINIFTZMZGOLE-UHFFFAOYSA-N
XLogP1.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate
CID 115353361
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate
CID 104578651
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989922
2-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 60711228
3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide
CID 81087037
N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine
CID 63946078
methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate
CID 14444193
3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide
CID 106112443
1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 175358714
1-(4-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206327
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 103271063

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate?
The IUPAC name of methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate (CID 113292334) is methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate.
What is the SMILES notation for methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate?
The canonical SMILES for methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate is CCC(NCc1ccc(OC)nc1)C(=O)OC.
What is the InChIKey of methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate?
The InChIKey is CUINIFTZMZGOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-10(12(15)17-3)13-7-9-5-6-11(16-2)14-8-9/h5-6,8,10,13H,4,7H2,1-3H3.
What are the key properties of methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate?
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate has a molecular weight of 238.29 g/mol, XLogP of 1.13, 6 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]butanoate is sourced from PubChem (CID 113292334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).