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

C11H17N5O3 — CID 136958456

IUPAC3-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid
SMILESNc1c(N2CCN(CCC(=O)O)CC2)nc[nH]c1=O
InChIInChI=1S/C11H17N5O3/c12-9-10(13-7-14-11(9)19)16-5-3-15(4-6-16)2-1-8(17)18/h7H,1-6,12H2,(H,17,18)(H,13,14,19)
InChIKeyQCVDHFWEPFRNQW-UHFFFAOYSA-N
MW267.29 g/mol
LogP-1.05
Rot. Bonds4

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

3-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid (PubChem CID 136958456) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid
PubChem CID136958456
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name3-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid
SMILESNc1c(N2CCN(CCC(=O)O)CC2)nc[nH]c1=O
InChIInChI=1S/C11H17N5O3/c12-9-10(13-7-14-11(9)19)16-5-3-15(4-6-16)2-1-8(17)18/h7H,1-6,12H2,(H,17,18)(H,13,14,19)
InChIKeyQCVDHFWEPFRNQW-UHFFFAOYSA-N
XLogP-1.05
TPSA115.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 136958450
3-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 136958457
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]propanoic acid
CID 136958490
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid
CID 136958507
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
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 136958777
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]butanoic acid
CID 136958811

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid (CID 136958456) is 3-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid is Nc1c(N2CCN(CCC(=O)O)CC2)nc[nH]c1=O.
What is the InChIKey of 3-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid?
The InChIKey is QCVDHFWEPFRNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c12-9-10(13-7-14-11(9)19)16-5-3-15(4-6-16)2-1-8(17)18/h7H,1-6,12H2,(H,17,18)(H,13,14,19).
What are the key properties of 3-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid?
3-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid has a molecular weight of 267.29 g/mol, XLogP of -1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 136958456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).