2-[[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid

C10H14N4O4 — CID 136958423

IUPAC2-[[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
SMILESCCc1nc(NCC(=O)NCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O4/c1-2-6-13-7(3-8(15)14-6)11-4-9(16)12-5-10(17)18/h3H,2,4-5H2,1H3,(H,12,16)(H,17,18)(H2,11,13,14,15)
InChIKeyQWQBYPWUNDSEHX-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.05
Rot. Bonds6

About 2-[[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid

2-[[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid (PubChem CID 136958423) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
PubChem CID136958423
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
SMILESCCc1nc(NCC(=O)NCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O4/c1-2-6-13-7(3-8(15)14-6)11-4-9(16)12-5-10(17)18/h3H,2,4-5H2,1H3,(H,12,16)(H,17,18)(H2,11,13,14,15)
InChIKeyQWQBYPWUNDSEHX-UHFFFAOYSA-N
XLogP-1.05
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-(Methylamino)-ethylglycine-carbonylmethylene-cytosine
CID 4627777
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959233
2-[[2-(4-Amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 17878899
ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)methylcarbamoylamino]acetate
CID 136455000
2-[acetyl(2-aminoethyl)amino]acetic acid;2-amino-1H-pyrimidin-6-one
CID 177739719
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136734032
2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734033
2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734035
2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734036
2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734037
N-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136956046
N-ethyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136956090

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid (CID 136958423) is 2-[[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid is CCc1nc(NCC(=O)NCC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
The InChIKey is QWQBYPWUNDSEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-2-6-13-7(3-8(15)14-6)11-4-9(16)12-5-10(17)18/h3H,2,4-5H2,1H3,(H,12,16)(H,17,18)(H2,11,13,14,15).
What are the key properties of 2-[[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
2-[[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid has a molecular weight of 254.25 g/mol, XLogP of -1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 136958423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).