2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid

C11H15N3O3 — CID 136958564

IUPAC2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H15N3O3/c1-2-14(6-10(16)17)8-5-9(15)13-11(12-8)7-3-4-7/h5,7H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyROJWIHISQKHJSC-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.56
Rot. Bonds5

About 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid

2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid (PubChem CID 136958564) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid
PubChem CID136958564
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H15N3O3/c1-2-14(6-10(16)17)8-5-9(15)13-11(12-8)7-3-4-7/h5,7H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyROJWIHISQKHJSC-UHFFFAOYSA-N
XLogP0.56
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid 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-[butan-2-yl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958534
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 137007673
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 137009357
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 137009112
4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137009734
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007497
4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136979194
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 136958657
2-[cyclopropylmethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958479
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid
CID 136958573
2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766326
2-cyclopropyl-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136989571

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid?
The IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid (CID 136958564) is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid is CCN(CC(=O)O)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid?
The InChIKey is ROJWIHISQKHJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-14(6-10(16)17)8-5-9(15)13-11(12-8)7-3-4-7/h5,7H,2-4,6H2,1H3,(H,16,17)(H,12,13,15).
What are the key properties of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid?
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid is sourced from PubChem (CID 136958564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).