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

C10H14N4O3 — CID 136958490

IUPAC3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]propanoic acid
SMILESNc1c(N(CCC(=O)O)C2CC2)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c11-8-9(12-5-13-10(8)17)14(6-1-2-6)4-3-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,12,13,17)
InChIKeyXWBVJXBBIZFSKW-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.20
Rot. Bonds5

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

3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]propanoic acid (PubChem CID 136958490) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]propanoic acid
PubChem CID136958490
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]propanoic acid
SMILESNc1c(N(CCC(=O)O)C2CC2)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c11-8-9(12-5-13-10(8)17)14(6-1-2-6)4-3-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,12,13,17)
InChIKeyXWBVJXBBIZFSKW-UHFFFAOYSA-N
XLogP-0.20
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid
CID 136210025
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958369
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958402
3-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 136958456
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid
CID 136958476
3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958491
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid
CID 136958507
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid
CID 136958525
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanoic acid
CID 136958554
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]propanoic acid
CID 136958574
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 136958655
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid
CID 136958704

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]propanoic acid (CID 136958490) is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]propanoic acid is Nc1c(N(CCC(=O)O)C2CC2)nc[nH]c1=O.
What is the InChIKey of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]propanoic acid?
The InChIKey is XWBVJXBBIZFSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-8-9(12-5-13-10(8)17)14(6-1-2-6)4-3-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,12,13,17).
What are the key properties of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]propanoic acid?
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]propanoic acid has a molecular weight of 238.25 g/mol, XLogP of -0.20, 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)-cyclopropylamino]propanoic acid is sourced from PubChem (CID 136958490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).