methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate

C12H17N3O5 — CID 61010746

IUPACmethyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O5/c1-3-14(7-5-11(18)20-2)10(17)8-15-6-4-9(16)13-12(15)19/h4,6H,3,5,7-8H2,1-2H3,(H,13,16,19)
InChIKeyHQZMDUOTGFSOQP-UHFFFAOYSA-N
MW283.28 g/mol
LogP-1.05
Rot. Bonds6

About methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate

methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate (PubChem CID 61010746) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate
PubChem CID61010746
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Namemethyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O5/c1-3-14(7-5-11(18)20-2)10(17)8-15-6-4-9(16)13-12(15)19/h4,6H,3,5,7-8H2,1-2H3,(H,13,16,19)
InChIKeyHQZMDUOTGFSOQP-UHFFFAOYSA-N
XLogP-1.05
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid
CID 54901429
ethyl 4-(2,4-dioxopyrimidin-1-yl)-3-oxobutanoate
CID 63898906
2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 50970037
methyl 3-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]propanoate
CID 61009768
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 34500280
methyl 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-ethylamino]propanoate
CID 54899031
methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate
CID 87020691
ethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
CID 47794810
2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 60598705
3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 50982925

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate?
The IUPAC name of methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate (CID 61010746) is methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate?
The canonical SMILES for methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate is CCN(CCC(=O)OC)C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate?
The InChIKey is HQZMDUOTGFSOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-3-14(7-5-11(18)20-2)10(17)8-15-6-4-9(16)13-12(15)19/h4,6H,3,5,7-8H2,1-2H3,(H,13,16,19).
What are the key properties of methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate?
methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate has a molecular weight of 283.28 g/mol, XLogP of -1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate is sourced from PubChem (CID 61010746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).