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

C11H16N2O2 — CID 61010631

IUPAC3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1ccccn1
InChIInChI=1S/C11H16N2O2/c1-2-13(8-6-11(14)15)9-10-5-3-4-7-12-10/h3-5,7H,2,6,8-9H2,1H3,(H,14,15)
InChIKeyDVOBQJDVHDFJKL-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.38
Rot. Bonds6

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

3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid (PubChem CID 61010631) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
PubChem CID61010631
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1ccccn1
InChIInChI=1S/C11H16N2O2/c1-2-13(8-6-11(14)15)9-10-5-3-4-7-12-10/h3-5,7H,2,6,8-9H2,1H3,(H,14,15)
InChIKeyDVOBQJDVHDFJKL-UHFFFAOYSA-N
XLogP1.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid
CID 82327071
3-[cyanomethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328509
6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801535
3-[ethyl(pyrimidin-2-ylmethyl)amino]propanoic acid
CID 55209592
8-[bis(pyridin-2-ylmethyl)amino]octanoic acid
CID 67061848
15-[carboxymethyl(pyridin-2-ylmethyl)amino]pentadecanoic acid
CID 90804342
3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329917
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoic acid
CID 10969990
3-[3-oxobutan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82329316
5-[bis(pyridin-2-ylmethyl)amino]hexanoic acid
CID 141092997

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid (CID 61010631) is 3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid is CCN(CCC(=O)O)Cc1ccccn1.
What is the InChIKey of 3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid?
The InChIKey is DVOBQJDVHDFJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-13(8-6-11(14)15)9-10-5-3-4-7-12-10/h3-5,7H,2,6,8-9H2,1H3,(H,14,15).
What are the key properties of 3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid?
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 61010631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).