3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid

C10H16N4O3 — CID 136958507

IUPAC3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O3/c1-6(2)14(4-3-7(15)16)9-8(11)10(17)13-5-12-9/h5-6H,3-4,11H2,1-2H3,(H,15,16)(H,12,13,17)
InChIKeyFCFOGXJBDIRJQE-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.04
Rot. Bonds5

About 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid

3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid (PubChem CID 136958507) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid
PubChem CID136958507
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O3/c1-6(2)14(4-3-7(15)16)9-8(11)10(17)13-5-12-9/h5-6H,3-4,11H2,1-2H3,(H,15,16)(H,12,13,17)
InChIKeyFCFOGXJBDIRJQE-UHFFFAOYSA-N
XLogP0.04
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic 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

3-(6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid
CID 136210025
2-Amino-8-methyl-4-oxo-3,5,6,7-tetrahydropteridine-6-carboxylic acid
CID 136316965
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136734034
5-amino-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one
CID 136800372
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958369
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid
CID 136958395
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958402
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958431
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
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]acetic acid
CID 136958500
3-[(6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid
CID 136958508

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid (CID 136958507) is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)c1nc[nH]c(=O)c1N.
What is the InChIKey of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid?
The InChIKey is FCFOGXJBDIRJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6(2)14(4-3-7(15)16)9-8(11)10(17)13-5-12-9/h5-6H,3-4,11H2,1-2H3,(H,15,16)(H,12,13,17).
What are the key properties of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid?
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 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)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 136958507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).