3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid

C7H10N4O3 — CID 136958369

IUPAC3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESNc1c(NCCC(=O)O)nc[nH]c1=O
InChIInChI=1S/C7H10N4O3/c8-5-6(9-2-1-4(12)13)10-3-11-7(5)14/h3H,1-2,8H2,(H,12,13)(H2,9,10,11,14)
InChIKeyRBKNRTBUBKUFJZ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.76
Rot. Bonds4

About 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid

3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (PubChem CID 136958369) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
PubChem CID136958369
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESNc1c(NCCC(=O)O)nc[nH]c1=O
InChIInChI=1S/C7H10N4O3/c8-5-6(9-2-1-4(12)13)10-3-11-7(5)14/h3H,1-2,8H2,(H,12,13)(H2,9,10,11,14)
InChIKeyRBKNRTBUBKUFJZ-UHFFFAOYSA-N
XLogP-0.76
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-Carboxy-5,6,7,8-tetrahydropterin
CID 135911925
(6r)-2-Amino-4-Oxo-3,4,5,6,7,8-Hexahydropteridine-6-Carboxylic Acid
CID 135566896
3-(6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid
CID 136210025
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid
CID 136376235
3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958370
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958376
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958402
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958424
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958431
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958443
3-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 136958456
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]propanoic acid
CID 136958490

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (CID 136958369) is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is Nc1c(NCCC(=O)O)nc[nH]c1=O.
What is the InChIKey of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is RBKNRTBUBKUFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c8-5-6(9-2-1-4(12)13)10-3-11-7(5)14/h3H,1-2,8H2,(H,12,13)(H2,9,10,11,14).
What are the key properties of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.76, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 136958369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).