2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid

C7H6N4O3 — CID 107543189

IUPAC2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid
SMILESN#Cc1ccnc(NOCC(=O)O)n1
InChIInChI=1S/C7H6N4O3/c8-3-5-1-2-9-7(10-5)11-14-4-6(12)13/h1-2H,4H2,(H,12,13)(H,9,10,11)
InChIKeyFTWWETPSAPRPEQ-UHFFFAOYSA-N
MW194.15 g/mol
LogP-0.22
Rot. Bonds4

About 2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid

2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid (PubChem CID 107543189) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid
PubChem CID107543189
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid
SMILESN#Cc1ccnc(NOCC(=O)O)n1
InChIInChI=1S/C7H6N4O3/c8-3-5-1-2-9-7(10-5)11-14-4-6(12)13/h1-2H,4H2,(H,12,13)(H,9,10,11)
InChIKeyFTWWETPSAPRPEQ-UHFFFAOYSA-N
XLogP-0.22
TPSA108.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-cyanopyrimidin-2-yl)amino]butanoic acid
CID 107542834
5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid
CID 107542986
4-[(4-cyanopyrimidin-2-yl)amino]-3-methoxybutanoic acid
CID 107543201
(2S)-2-[(4-cyanopyrimidin-2-yl)amino]butanoic acid
CID 167798650
5-[[(4-cyanopyrimidin-2-yl)amino]methyl]furan-2-carboxylic acid
CID 107543095
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile
CID 106185915
2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107545203
2-anilinopyrimidine-4-carbonitrile
CID 19392543
2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid
CID 130510934
2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile
CID 107544340
2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545205
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid?
The IUPAC name of 2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid (CID 107543189) is 2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid?
The canonical SMILES for 2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid is N#Cc1ccnc(NOCC(=O)O)n1.
What is the InChIKey of 2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid?
The InChIKey is FTWWETPSAPRPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c8-3-5-1-2-9-7(10-5)11-14-4-6(12)13/h1-2H,4H2,(H,12,13)(H,9,10,11).
What are the key properties of 2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid?
2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid has a molecular weight of 194.15 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid is sourced from PubChem (CID 107543189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).