2-[(2-amino-2-oxoethyl)-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]acetic acid

C13H18N4O4 — CID 107437801

IUPAC2-[(2-amino-2-oxoethyl)-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]acetic acid
SMILESCN(CCc1ccccn1)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C13H18N4O4/c1-16(7-5-10-4-2-3-6-15-10)13(21)17(8-11(14)18)9-12(19)20/h2-4,6H,5,7-9H2,1H3,(H2,14,18)(H,19,20)
InChIKeyPVXIBCHRYNWSJA-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.45
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]acetic acid (PubChem CID 107437801) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]acetic acid
PubChem CID107437801
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name2-[(2-amino-2-oxoethyl)-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]acetic acid
SMILESCN(CCc1ccccn1)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C13H18N4O4/c1-16(7-5-10-4-2-3-6-15-10)13(21)17(8-11(14)18)9-12(19)20/h2-4,6H,5,7-9H2,1H3,(H2,14,18)(H,19,20)
InChIKeyPVXIBCHRYNWSJA-UHFFFAOYSA-N
XLogP-0.45
TPSA116.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-oxoethyl)-[methyl(2-pyridin-2-ylethyl)carbamoyl]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-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid
CID 114289646
(2R)-4-amino-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826008
phenyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate
CID 60681158
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43156182
2-amino-N-methyl-N-(2-pyridin-2-ylethyl)-2-thiophen-2-ylacetamide
CID 115285974
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
2-[2-(dimethylamino)ethyl-(2-pyridin-2-ylacetyl)amino]acetic acid
CID 107424052
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]acetic acid (CID 107437801) is 2-[(2-amino-2-oxoethyl)-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]acetic acid is CN(CCc1ccccn1)C(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]acetic acid?
The InChIKey is PVXIBCHRYNWSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-16(7-5-10-4-2-3-6-15-10)13(21)17(8-11(14)18)9-12(19)20/h2-4,6H,5,7-9H2,1H3,(H2,14,18)(H,19,20).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]acetic acid has a molecular weight of 294.31 g/mol, XLogP of -0.45, 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)-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107437801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).