3-methoxy-2-methyl-2-[methyl(pyridin-3-ylmethyl)amino]propanoic acid

C12H18N2O3 — CID 115001276

IUPAC3-methoxy-2-methyl-2-[methyl(pyridin-3-ylmethyl)amino]propanoic acid
SMILESCOCC(C)(C(=O)O)N(C)Cc1cccnc1
InChIInChI=1S/C12H18N2O3/c1-12(9-17-3,11(15)16)14(2)8-10-5-4-6-13-7-10/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyBHFZWCQGCUODAU-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.00
Rot. Bonds6

About 3-methoxy-2-methyl-2-[methyl(pyridin-3-ylmethyl)amino]propanoic acid

3-methoxy-2-methyl-2-[methyl(pyridin-3-ylmethyl)amino]propanoic acid (PubChem CID 115001276) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-[methyl(pyridin-3-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-[methyl(pyridin-3-ylmethyl)amino]propanoic acid
PubChem CID115001276
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-methoxy-2-methyl-2-[methyl(pyridin-3-ylmethyl)amino]propanoic acid
SMILESCOCC(C)(C(=O)O)N(C)Cc1cccnc1
InChIInChI=1S/C12H18N2O3/c1-12(9-17-3,11(15)16)14(2)8-10-5-4-6-13-7-10/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyBHFZWCQGCUODAU-UHFFFAOYSA-N
XLogP1.00
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid
CID 82239881
tert-butyl N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)carbamate
CID 63788521
4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 43563540
2-[tert-butyl(pyridin-3-ylmethyl)amino]acetic acid
CID 79269104
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424
4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 87010748
2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol
CID 114495365
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 63681105
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one
CID 63196149

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-[methyl(pyridin-3-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-[methyl(pyridin-3-ylmethyl)amino]propanoic acid (CID 115001276) is 3-methoxy-2-methyl-2-[methyl(pyridin-3-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-[methyl(pyridin-3-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-[methyl(pyridin-3-ylmethyl)amino]propanoic acid is COCC(C)(C(=O)O)N(C)Cc1cccnc1.
What is the InChIKey of 3-methoxy-2-methyl-2-[methyl(pyridin-3-ylmethyl)amino]propanoic acid?
The InChIKey is BHFZWCQGCUODAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(9-17-3,11(15)16)14(2)8-10-5-4-6-13-7-10/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 3-methoxy-2-methyl-2-[methyl(pyridin-3-ylmethyl)amino]propanoic acid?
3-methoxy-2-methyl-2-[methyl(pyridin-3-ylmethyl)amino]propanoic acid has a molecular weight of 238.29 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-[methyl(pyridin-3-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 115001276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).