2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid

C8H11N5O4 — CID 136958419

IUPAC2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
SMILESNc1c(NCC(=O)NCC(=O)O)nc[nH]c1=O
InChIInChI=1S/C8H11N5O4/c9-6-7(12-3-13-8(6)17)11-1-4(14)10-2-5(15)16/h3H,1-2,9H2,(H,10,14)(H,15,16)(H2,11,12,13,17)
InChIKeyONHNVUHNIFDTTK-UHFFFAOYSA-N
MW241.21 g/mol
LogP-2.04
Rot. Bonds5

About 2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid

2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid (PubChem CID 136958419) has the molecular formula C8H11N5O4 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
PubChem CID136958419
Molecular FormulaC8H11N5O4
Molecular Weight241.21 g/mol
Exact Mass241.08
IUPAC Name2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
SMILESNc1c(NCC(=O)NCC(=O)O)nc[nH]c1=O
InChIInChI=1S/C8H11N5O4/c9-6-7(12-3-13-8(6)17)11-1-4(14)10-2-5(15)16/h3H,1-2,9H2,(H,10,14)(H,15,16)(H2,11,12,13,17)
InChIKeyONHNVUHNIFDTTK-UHFFFAOYSA-N
XLogP-2.04
TPSA150.20 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 5-2.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]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-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycylglycinate
CID 101117450
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959228
2-(9-methyl-6,8-dioxo-7H-purin-1-yl)acetic acid
CID 118436924
2-(6-oxo-7,8-dihydro-1H-purin-9-yl)acetic acid
CID 136441219
4,5-bis[(2-amino-2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136477344
2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid
CID 136612221
2-[(6,8-dioxo-7,9-dihydro-1H-purin-2-yl)amino]acetic acid
CID 136612634
N-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate
CID 57371879
[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylcarbamic acid
CID 57371880
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136734034
2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734036
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
CID 136958333

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid (CID 136958419) is 2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid is Nc1c(NCC(=O)NCC(=O)O)nc[nH]c1=O.
What is the InChIKey of 2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
The InChIKey is ONHNVUHNIFDTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O4/c9-6-7(12-3-13-8(6)17)11-1-4(14)10-2-5(15)16/h3H,1-2,9H2,(H,10,14)(H,15,16)(H2,11,12,13,17).
What are the key properties of 2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid has a molecular weight of 241.21 g/mol, XLogP of -2.04, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 136958419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).