3-[2-(dimethylamino)ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid

C14H23N3O2 — CID 82319922

IUPAC3-[2-(dimethylamino)ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
SMILESCc1cccnc1N(CCN(C)C)CC(C)C(=O)O
InChIInChI=1S/C14H23N3O2/c1-11-6-5-7-15-13(11)17(9-8-16(3)4)10-12(2)14(18)19/h5-7,12H,8-10H2,1-4H3,(H,18,19)
InChIKeyYPXAKHHDSKRIQB-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.48
Rot. Bonds7

About 3-[2-(dimethylamino)ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid

3-[2-(dimethylamino)ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid (PubChem CID 82319922) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
PubChem CID82319922
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[2-(dimethylamino)ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
SMILESCc1cccnc1N(CCN(C)C)CC(C)C(=O)O
InChIInChI=1S/C14H23N3O2/c1-11-6-5-7-15-13(11)17(9-8-16(3)4)10-12(2)14(18)19/h5-7,12H,8-10H2,1-4H3,(H,18,19)
InChIKeyYPXAKHHDSKRIQB-UHFFFAOYSA-N
XLogP1.48
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82318925
3-[hexyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82318329
N,3-dimethyl-N-propan-2-ylpyridin-2-amine
CID 59917060
3-[4-carbamoyl-N-[2-(dimethylamino)ethyl]anilino]-2-methylpropanoic acid
CID 82319869
N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62282134
3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 107062353
3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid
CID 82318176
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
3-[(2-chloro-3-pyridinyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 82317724
3-[(5-chloro-2-pyridinyl)-[3-(dimethylamino)propyl]amino]-2-methylpropanoic acid
CID 82320041
N-(3-methyl-2-pyridinyl)-N-phenylacetamide
CID 54093992
3-[N-[3-(dimethylamino)propyl]-2-ethylanilino]-2-methylpropanoic acid
CID 82320010

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(dimethylamino)ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid (CID 82319922) is 3-[2-(dimethylamino)ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid is Cc1cccnc1N(CCN(C)C)CC(C)C(=O)O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid?
The InChIKey is YPXAKHHDSKRIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-6-5-7-15-13(11)17(9-8-16(3)4)10-12(2)14(18)19/h5-7,12H,8-10H2,1-4H3,(H,18,19).
What are the key properties of 3-[2-(dimethylamino)ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid?
3-[2-(dimethylamino)ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid has a molecular weight of 265.36 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82319922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).