3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid

C13H20N2O3 — CID 63986715

IUPAC3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid
SMILESCCN(Cc1cccc(OC)n1)C(C)CC(=O)O
InChIInChI=1S/C13H20N2O3/c1-4-15(10(2)8-13(16)17)9-11-6-5-7-12(14-11)18-3/h5-7,10H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyHSNNIZHSHGKZDF-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.78
Rot. Bonds7

About 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid

3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid (PubChem CID 63986715) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid
PubChem CID63986715
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid
SMILESCCN(Cc1cccc(OC)n1)C(C)CC(=O)O
InChIInChI=1S/C13H20N2O3/c1-4-15(10(2)8-13(16)17)9-11-6-5-7-12(14-11)18-3/h5-7,10H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyHSNNIZHSHGKZDF-UHFFFAOYSA-N
XLogP1.78
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 63985132
2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid
CID 79268653
2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid
CID 63984337
3-[ethyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]butanoic acid
CID 62828179
1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one
CID 79416635
N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 63993127
3-[ethyl-[(2-hydroxyphenyl)methyl]amino]butanoic acid
CID 65060655
methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate
CID 63984543
3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid
CID 62827812
3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide
CID 63985285
3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
CID 62825872
3-[(2,3-dichlorophenyl)methyl-ethylamino]butanoic acid
CID 65060850

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid (CID 63986715) is 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid is CCN(Cc1cccc(OC)n1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid?
The InChIKey is HSNNIZHSHGKZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-15(10(2)8-13(16)17)9-11-6-5-7-12(14-11)18-3/h5-7,10H,4,8-9H2,1-3H3,(H,16,17).
What are the key properties of 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid?
3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid has a molecular weight of 252.31 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid is sourced from PubChem (CID 63986715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).