2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid

C14H21N3O3 — CID 103802557

IUPAC2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)CCc1cccnc1
InChIInChI=1S/C14H21N3O3/c1-16(2)8-9-17(11-14(19)20)13(18)6-5-12-4-3-7-15-10-12/h3-4,7,10H,5-6,8-9,11H2,1-2H3,(H,19,20)
InChIKeyIHVYGJKXIOODLM-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.49
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid (PubChem CID 103802557) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid
PubChem CID103802557
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)CCc1cccnc1
InChIInChI=1S/C14H21N3O3/c1-16(2)8-9-17(11-14(19)20)13(18)6-5-12-4-3-7-15-10-12/h3-4,7,10H,5-6,8-9,11H2,1-2H3,(H,19,20)
InChIKeyIHVYGJKXIOODLM-UHFFFAOYSA-N
XLogP0.49
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid
CID 107434413
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 95903055
N-(2-hydroxyethyl)-N-propyl-3-pyridin-3-ylpropanamide
CID 60682520
2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid
CID 107423497
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid
CID 63645112
3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263
(E)-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid
CID 60951962
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294
3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid
CID 64896517
N-propyl-N-(2-pyridin-3-ylethyl)propanamide
CID 10262913

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid (CID 103802557) is 2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)CCc1cccnc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid?
The InChIKey is IHVYGJKXIOODLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16(2)8-9-17(11-14(19)20)13(18)6-5-12-4-3-7-15-10-12/h3-4,7,10H,5-6,8-9,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 0.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid is sourced from PubChem (CID 103802557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).