2-[2-(dimethylamino)ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid

C12H18N4O4 — CID 107424071

IUPAC2-[2-(dimethylamino)ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H18N4O4/c1-14(2)6-7-15(9-11(18)19)10(17)8-16-5-3-4-13-12(16)20/h3-5H,6-9H2,1-2H3,(H,18,19)
InChIKeyHQTMOCBQJVAOFF-UHFFFAOYSA-N
MW282.30 g/mol
LogP-1.28
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid (PubChem CID 107424071) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
PubChem CID107424071
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name2-[2-(dimethylamino)ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H18N4O4/c1-14(2)6-7-15(9-11(18)19)10(17)8-16-5-3-4-13-12(16)20/h3-5H,6-9H2,1-2H3,(H,18,19)
InChIKeyHQTMOCBQJVAOFF-UHFFFAOYSA-N
XLogP-1.28
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(dimethylamino)ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]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

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 63939068
methyl 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 43431615
2-[2-(dimethylamino)ethyl-(2-pyridin-2-ylacetyl)amino]acetic acid
CID 107424052
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103915533
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide
CID 171135111
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 115760048
ethyl 3-oxo-4-(2-oxopyrimidin-1-yl)butanoate
CID 63898720
2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802903
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 64512735
2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid
CID 121498187
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid
CID 54901429
2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid
CID 107423497

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid (CID 107424071) is 2-[2-(dimethylamino)ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)Cn1cccnc1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is HQTMOCBQJVAOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-14(2)6-7-15(9-11(18)19)10(17)8-16-5-3-4-13-12(16)20/h3-5H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(dimethylamino)ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 282.30 g/mol, XLogP of -1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 107424071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).