2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid

C13H20N4O4 — CID 136745653

IUPAC2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
SMILESCOc1c(N2CCCC(CNCC(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C13H20N4O4/c1-21-11-12(15-8-16-13(11)20)17-4-2-3-9(7-17)5-14-6-10(18)19/h8-9,14H,2-7H2,1H3,(H,18,19)(H,15,16,20)
InChIKeyZWIMKVBFMRYJCN-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.33
Rot. Bonds6

About 2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 136745653) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
PubChem CID136745653
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
SMILESCOc1c(N2CCCC(CNCC(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C13H20N4O4/c1-21-11-12(15-8-16-13(11)20)17-4-2-3-9(7-17)5-14-6-10(18)19/h8-9,14H,2-7H2,1H3,(H,18,19)(H,15,16,20)
InChIKeyZWIMKVBFMRYJCN-UHFFFAOYSA-N
XLogP-0.33
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687974
N-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792780
5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805327
5-methoxy-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805334
4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805344
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805352
5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805362
4-[3-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136958190
5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958196
4-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136958202
5-methoxy-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958209
2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 136958454

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid (CID 136745653) is 2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid is COc1c(N2CCCC(CNCC(=O)O)C2)nc[nH]c1=O.
What is the InChIKey of 2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is ZWIMKVBFMRYJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-21-11-12(15-8-16-13(11)20)17-4-2-3-9(7-17)5-14-6-10(18)19/h8-9,14H,2-7H2,1H3,(H,18,19)(H,15,16,20).
What are the key properties of 2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 296.33 g/mol, XLogP of -0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 136745653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).