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

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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).