methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate

C11H15N3O3 — CID 104626674

IUPACmethyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1cncnc1
InChIInChI=1S/C11H15N3O3/c1-3-4-14(7-10(15)17-2)11(16)9-5-12-8-13-6-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyDYRAPOARPGKIMW-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.50
Rot. Bonds5

About methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate

methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate (PubChem CID 104626674) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate
PubChem CID104626674
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1cncnc1
InChIInChI=1S/C11H15N3O3/c1-3-4-14(7-10(15)17-2)11(16)9-5-12-8-13-6-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyDYRAPOARPGKIMW-UHFFFAOYSA-N
XLogP0.50
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate
CID 55005855
methyl 2-[(4-cyanobenzoyl)-propylamino]acetate
CID 60766494
5-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]pyridine-3-carboxylic acid
CID 63157676
methyl 2-[(5-carbamothioylpyridine-2-carbonyl)-propylamino]acetate
CID 63749201
methyl 2-[(4-amino-3-methoxybenzoyl)-propylamino]acetate
CID 104782582
methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate
CID 60959275
2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid
CID 107423918
N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide
CID 106625552
N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide
CID 102922881
N-(2-bromoethyl)-N-butylpyrimidine-5-carboxamide
CID 102922718
methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate
CID 103644943
methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate
CID 106501642

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate (CID 104626674) is methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate is CCCN(CC(=O)OC)C(=O)c1cncnc1.
What is the InChIKey of methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate?
The InChIKey is DYRAPOARPGKIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-4-14(7-10(15)17-2)11(16)9-5-12-8-13-6-9/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate?
methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate has a molecular weight of 237.26 g/mol, XLogP of 0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate is sourced from PubChem (CID 104626674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).