methyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate

C8H11N3O3 — CID 136956205

IUPACmethyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H11N3O3/c1-14-8(13)2-3-9-6-4-7(12)11-5-10-6/h4-5H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyKUDKXGUVACHKIF-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.26
Rot. Bonds4

About methyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate

methyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate (PubChem CID 136956205) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
PubChem CID136956205
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Namemethyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H11N3O3/c1-14-8(13)2-3-9-6-4-7(12)11-5-10-6/h4-5H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyKUDKXGUVACHKIF-UHFFFAOYSA-N
XLogP-0.26
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoylamino]propanoate
CID 170005904
N-methyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136914212
4-(3-ethoxypropylamino)-1H-pyrimidin-6-one
CID 136956016
4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 136956035
methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956088
N,N-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136956197
methyl 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956202
methyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956203
methyl 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956204
ethyl 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956413
ethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956414
ethyl 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956415

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate (CID 136956205) is methyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate is COC(=O)CCNc1cc(=O)[nH]cn1.
What is the InChIKey of methyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The InChIKey is KUDKXGUVACHKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-14-8(13)2-3-9-6-4-7(12)11-5-10-6/h4-5H,2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of methyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
methyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate has a molecular weight of 197.19 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 136956205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).