3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid

C11H15N3O3 — CID 136958405

IUPAC3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCC(CC(=O)O)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H15N3O3/c1-6(4-10(16)17)12-8-5-9(15)14-11(13-8)7-2-3-7/h5-7H,2-4H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyUFBDYIIMQMOJNG-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.92
Rot. Bonds5

About 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid

3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (PubChem CID 136958405) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
PubChem CID136958405
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCC(CC(=O)O)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H15N3O3/c1-6(4-10(16)17)12-8-5-9(15)14-11(13-8)7-2-3-7/h5-7H,2-4H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyUFBDYIIMQMOJNG-UHFFFAOYSA-N
XLogP0.92
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic 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-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 136857997
(3S,4S)-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 136954403
3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958371
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958372
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958375
4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958378
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958379
4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958380
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958382
4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958397
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid
CID 136958398

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (CID 136958405) is 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is CC(CC(=O)O)Nc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The InChIKey is UFBDYIIMQMOJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6(4-10(16)17)12-8-5-9(15)14-11(13-8)7-2-3-7/h5-7H,2-4H2,1H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 136958405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).