methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]propanoate

C8H11N3O3 — CID 586658

IUPACmethyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1ccnc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-5(7(12)14-2)10-6-3-4-9-8(13)11-6/h3-5H,1-2H3,(H2,9,10,11,13)
InChIKeyLPIFYTDIBBSRQV-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.26
Rot. Bonds3

About methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]propanoate

methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]propanoate (PubChem CID 586658) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]propanoate
PubChem CID586658
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Namemethyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1ccnc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-5(7(12)14-2)10-6-3-4-9-8(13)11-6/h3-5H,1-2H3,(H2,9,10,11,13)
InChIKeyLPIFYTDIBBSRQV-UHFFFAOYSA-N
XLogP-0.26
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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

4-[(1-Carboxyethyl)amino]-2(1H)-pyrimidinone
CID 352581
Methyl 2-[(1H-2-oxo-4-pyrimidinyl)amino]-acetate
CID 580018
Methyl 2-[N-methyl-N-(1H-2-oxo-4-pyrimidinyl)amino]-acetate
CID 586684
Methyl 2[(1H-2-oxo-4-pyrimidinyl)amino]-isopentanoate
CID 592141
Methyl 3-methyl-2-[(1H-2-oxo-4-pyrimidinyl)amino]-isopantanoate
CID 601942
methyl 2-methyl-1H-pyrimidine-2-carboxylate
CID 22051117
methyl 2-(2H-pyrimidine-1-carbonylamino)acetate
CID 70376493
Amino 2-[(3-methyl-2-oxopyrimidin-4-yl)amino]butanoate
CID 141738056
amino 2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoate
CID 141738059
(2S)-2-[(2-oxo-1H-pyrimidin-6-yl)amino]propanoic acid
CID 13988998
2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoic acid
CID 133664746

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]propanoate?
The IUPAC name of methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]propanoate (CID 586658) is methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]propanoate is COC(=O)C(C)Nc1ccnc(=O)[nH]1.
What is the InChIKey of methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]propanoate?
The InChIKey is LPIFYTDIBBSRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(7(12)14-2)10-6-3-4-9-8(13)11-6/h3-5H,1-2H3,(H2,9,10,11,13).
What are the key properties of methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]propanoate?
methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]propanoate has a molecular weight of 197.19 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]propanoate is sourced from PubChem (CID 586658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).