propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate

C12H18N2O3 — CID 62990974

IUPACpropan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate
SMILESCOc1ccc(CNCC(=O)OC(C)C)cn1
InChIInChI=1S/C12H18N2O3/c1-9(2)17-12(15)8-13-6-10-4-5-11(16-3)14-7-10/h4-5,7,9,13H,6,8H2,1-3H3
InChIKeyRWSAXMOIESFGPC-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.13
Rot. Bonds6

About propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate

propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate (PubChem CID 62990974) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate
PubChem CID62990974
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namepropan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate
SMILESCOc1ccc(CNCC(=O)OC(C)C)cn1
InChIInChI=1S/C12H18N2O3/c1-9(2)17-12(15)8-13-6-10-4-5-11(16-3)14-7-10/h4-5,7,9,13H,6,8H2,1-3H3
InChIKeyRWSAXMOIESFGPC-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

2-[(6-methoxy-3-pyridinyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 62990803
N-ethyl-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62990480
(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
2-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 60711228
ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989927
N-(4-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62989750
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
CID 83156007
1-N-[(6-methoxy-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 114936683
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989922
3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide
CID 104998708

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate?
The IUPAC name of propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate (CID 62990974) is propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate?
The canonical SMILES for propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate is COc1ccc(CNCC(=O)OC(C)C)cn1.
What is the InChIKey of propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate?
The InChIKey is RWSAXMOIESFGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(2)17-12(15)8-13-6-10-4-5-11(16-3)14-7-10/h4-5,7,9,13H,6,8H2,1-3H3.
What are the key properties of propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate?
propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate 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 propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate is sourced from PubChem (CID 62990974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).