methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate

C11H15N3O5 — CID 55005954

IUPACmethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c1-3-4-14(6-9(16)19-2)10(17)7-5-8(15)13-11(18)12-7/h5H,3-4,6H2,1-2H3,(H2,12,13,15,18)
InChIKeyLXTRVDMMHFRITR-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.91
Rot. Bonds5

About methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate

methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate (PubChem CID 55005954) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate
PubChem CID55005954
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Namemethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c1-3-4-14(6-9(16)19-2)10(17)7-5-8(15)13-11(18)12-7/h5H,3-4,6H2,1-2H3,(H2,12,13,15,18)
InChIKeyLXTRVDMMHFRITR-UHFFFAOYSA-N
XLogP-0.91
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952949
N-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60961131
methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate
CID 104626674
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 79668317
methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate
CID 103644943
butanoyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 88663781
methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate
CID 106501642
methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate
CID 106491024
methyl 2-[(4-amino-3-methoxybenzoyl)-propylamino]acetate
CID 104782582
methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate
CID 61109430
methyl 2-[(4-cyanobenzoyl)-propylamino]acetate
CID 60766494
4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]butanoic acid
CID 43329670

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate?
The IUPAC name of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate (CID 55005954) is methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate is CCCN(CC(=O)OC)C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate?
The InChIKey is LXTRVDMMHFRITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-3-4-14(6-9(16)19-2)10(17)7-5-8(15)13-11(18)12-7/h5H,3-4,6H2,1-2H3,(H2,12,13,15,18).
What are the key properties of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate?
methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate has a molecular weight of 269.26 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate is sourced from PubChem (CID 55005954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).