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

C11H14N4O4 — CID 136958421

IUPAC2-[[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H14N4O4/c16-8-3-7(14-11(15-8)6-1-2-6)12-4-9(17)13-5-10(18)19/h3,6H,1-2,4-5H2,(H,13,17)(H,18,19)(H2,12,14,15,16)
InChIKeyKBQWQKRRPQRRKR-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.74
Rot. Bonds6

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

2-[[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid (PubChem CID 136958421) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
PubChem CID136958421
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name2-[[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H14N4O4/c16-8-3-7(14-11(15-8)6-1-2-6)12-4-9(17)13-5-10(18)19/h3,6H,1-2,4-5H2,(H,13,17)(H,18,19)(H2,12,14,15,16)
InChIKeyKBQWQKRRPQRRKR-UHFFFAOYSA-N
XLogP-0.74
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959231
2-[[2-[(2-cyclopropyl-4-sulfanylidene-1H-pyrimidin-6-yl)amino]acetyl]amino]acetic acid
CID 82457506
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-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734037
2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958335
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
CID 136958336
2-[[2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
CID 136958420
2-[[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
CID 136958422
2-[[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
CID 136958423
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958427
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958434

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid (CID 136958421) is 2-[[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-[[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
The InChIKey is KBQWQKRRPQRRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c16-8-3-7(14-11(15-8)6-1-2-6)12-4-9(17)13-5-10(18)19/h3,6H,1-2,4-5H2,(H,13,17)(H,18,19)(H2,12,14,15,16).
What are the key properties of 2-[[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid?
2-[[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid has a molecular weight of 266.26 g/mol, XLogP of -0.74, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 136958421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).