methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate

C12H18N2O3 — CID 61375172

IUPACmethyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
SMILESCOC(=O)CNCc1cccnc1OC(C)C
InChIInChI=1S/C12H18N2O3/c1-9(2)17-12-10(5-4-6-14-12)7-13-8-11(15)16-3/h4-6,9,13H,7-8H2,1-3H3
InChIKeyYQUXMGVBRKMDLK-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.13
Rot. Bonds6

About methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate

methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate (PubChem CID 61375172) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
PubChem CID61375172
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
SMILESCOC(=O)CNCc1cccnc1OC(C)C
InChIInChI=1S/C12H18N2O3/c1-9(2)17-12-10(5-4-6-14-12)7-13-8-11(15)16-3/h4-6,9,13H,7-8H2,1-3H3
InChIKeyYQUXMGVBRKMDLK-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

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N,N-diethyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetamide
CID 61374984
(E)-3-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]but-2-enoic acid
CID 103247286
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 62142011
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 61375381
N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 63984677
2,3-dimethyl-4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]but-2-enoic acid
CID 76992706
1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 65464946
(2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94171586
3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine
CID 115709816
3-chloro-2-[[(2-propan-2-yloxy-3-pyridinyl)methylamino]methyl]phenol
CID 78959442

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate?
The IUPAC name of methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate (CID 61375172) is methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate?
The canonical SMILES for methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate is COC(=O)CNCc1cccnc1OC(C)C.
What is the InChIKey of methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate?
The InChIKey is YQUXMGVBRKMDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(2)17-12-10(5-4-6-14-12)7-13-8-11(15)16-3/h4-6,9,13H,7-8H2,1-3H3.
What are the key properties of methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate?
methyl 2-[(2-propan-2-yloxy-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 methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate is sourced from PubChem (CID 61375172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).