2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid

C12H17N3O3 — CID 61021274

IUPAC2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccnc(N(C)C)c1
InChIInChI=1S/C12H17N3O3/c1-4-15(8-11(16)17)12(18)9-5-6-13-10(7-9)14(2)3/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyMNQFMGHOYPJOJD-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.69
Rot. Bonds5

About 2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid

2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid (PubChem CID 61021274) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid
PubChem CID61021274
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccnc(N(C)C)c1
InChIInChI=1S/C12H17N3O3/c1-4-15(8-11(16)17)12(18)9-5-6-13-10(7-9)14(2)3/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyMNQFMGHOYPJOJD-UHFFFAOYSA-N
XLogP0.69
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid
CID 60989436
2-[ethyl-[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid
CID 120519827
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 120884650
2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 103857495
2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
CID 62849704
2-[ethyl(methyl)amino]pyridine-4-carboxylic acid
CID 43263657
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide
CID 61292713
2-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 60580963
2-[(3,5-dihydroxybenzoyl)-ethylamino]acetic acid
CID 107702457
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
2-[(3-chlorobenzoyl)-ethylamino]acetic acid
CID 61021485

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid (CID 61021274) is 2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)c1ccnc(N(C)C)c1.
What is the InChIKey of 2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid?
The InChIKey is MNQFMGHOYPJOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-4-15(8-11(16)17)12(18)9-5-6-13-10(7-9)14(2)3/h5-7H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid?
2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid is sourced from PubChem (CID 61021274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).