2-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid

C14H22N4O3 — CID 136745654

IUPAC2-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
SMILESCCc1nc(N2CCCC(CNCC(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C14H22N4O3/c1-2-11-16-12(6-13(19)17-11)18-5-3-4-10(9-18)7-15-8-14(20)21/h6,10,15H,2-5,7-9H2,1H3,(H,20,21)(H,16,17,19)
InChIKeyHVBAWQCHZDYBMP-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.22
Rot. Bonds6

About 2-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 136745654) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
PubChem CID136745654
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
SMILESCCc1nc(N2CCCC(CNCC(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C14H22N4O3/c1-2-11-16-12(6-13(19)17-11)18-5-3-4-10(9-18)7-15-8-14(20)21/h6,10,15H,2-5,7-9H2,1H3,(H,20,21)(H,16,17,19)
InChIKeyHVBAWQCHZDYBMP-UHFFFAOYSA-N
XLogP0.22
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid (CID 136745654) is 2-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid is CCc1nc(N2CCCC(CNCC(=O)O)C2)cc(=O)[nH]1.
What is the InChIKey of 2-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is HVBAWQCHZDYBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-2-11-16-12(6-13(19)17-11)18-5-3-4-10(9-18)7-15-8-14(20)21/h6,10,15H,2-5,7-9H2,1H3,(H,20,21)(H,16,17,19).
What are the key properties of 2-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 294.36 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 136745654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).