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

C9H12N4O4 — CID 136958422

IUPAC2-[[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
SMILESCc1nc(NCC(=O)NCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C9H12N4O4/c1-5-12-6(2-7(14)13-5)10-3-8(15)11-4-9(16)17/h2H,3-4H2,1H3,(H,11,15)(H,16,17)(H2,10,12,13,14)
InChIKeyWDEYMWNXCSHFNC-UHFFFAOYSA-N
MW240.22 g/mol
LogP-1.31
Rot. Bonds5

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

2-[[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid (PubChem CID 136958422) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
PubChem CID136958422
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name2-[[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
SMILESCc1nc(NCC(=O)NCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C9H12N4O4/c1-5-12-6(2-7(14)13-5)10-3-8(15)11-4-9(16)17/h2H,3-4H2,1H3,(H,11,15)(H,16,17)(H2,10,12,13,14)
InChIKeyWDEYMWNXCSHFNC-UHFFFAOYSA-N
XLogP-1.31
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(2-methyl-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-Aminoethylglycine-carbonylmethylene-cytosine
CID 4627781
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 137015876
2-[2-Aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 4627782
2-[[2-(4-Amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 17878899
2-[1-Aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 69652104
2-[[2-(4-Amino-2-oxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid;azane
CID 69652105
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-(4-Amino-2-oxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid
CID 69652106
2-(4-Acetamido-2-oxopyrimidin-1-yl)acetic acid
CID 129988780
2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734033

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid (CID 136958422) is 2-[[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid is Cc1nc(NCC(=O)NCC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
The InChIKey is WDEYMWNXCSHFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c1-5-12-6(2-7(14)13-5)10-3-8(15)11-4-9(16)17/h2H,3-4H2,1H3,(H,11,15)(H,16,17)(H2,10,12,13,14).
What are the key properties of 2-[[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
2-[[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid has a molecular weight of 240.22 g/mol, XLogP of -1.31, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 136958422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).