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

C12H15N3O4 — CID 107434413

IUPAC2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)CCc1cccnc1
InChIInChI=1S/C12H15N3O4/c13-10(16)7-15(8-12(18)19)11(17)4-3-9-2-1-5-14-6-9/h1-2,5-6H,3-4,7-8H2,(H2,13,16)(H,18,19)
InChIKeyFSQRTLVXLKWGHS-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.59
Rot. Bonds7

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

2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid (PubChem CID 107434413) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid
PubChem CID107434413
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)CCc1cccnc1
InChIInChI=1S/C12H15N3O4/c13-10(16)7-15(8-12(18)19)11(17)4-3-9-2-1-5-14-6-9/h1-2,5-6H,3-4,7-8H2,(H2,13,16)(H,18,19)
InChIKeyFSQRTLVXLKWGHS-UHFFFAOYSA-N
XLogP-0.59
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid
CID 103802557
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid
CID 63645112
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 95903055
pyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid)
CID 122691217
N-(2-hydroxyethyl)-N-propyl-3-pyridin-3-ylpropanamide
CID 60682520
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868
2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
CID 63645773
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid (CID 107434413) is 2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)CCc1cccnc1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid?
The InChIKey is FSQRTLVXLKWGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c13-10(16)7-15(8-12(18)19)11(17)4-3-9-2-1-5-14-6-9/h1-2,5-6H,3-4,7-8H2,(H2,13,16)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid has a molecular weight of 265.27 g/mol, XLogP of -0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid is sourced from PubChem (CID 107434413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).