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

C11H15N3O3 — CID 136958434

IUPAC2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCCC(Nc1cc(=O)[nH]c(C2CC2)n1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-2-7(11(16)17)12-8-5-9(15)14-10(13-8)6-3-4-6/h5-7H,2-4H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyBXEDKPKREQTVPY-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.92
Rot. Bonds5

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

2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (PubChem CID 136958434) 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)amino]butanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
PubChem CID136958434
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCCC(Nc1cc(=O)[nH]c(C2CC2)n1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-2-7(11(16)17)12-8-5-9(15)14-10(13-8)6-3-4-6/h5-7H,2-4H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyBXEDKPKREQTVPY-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 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid with MolForge

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Related Compounds

2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 136959292
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136734032
2-cyclopropyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
CID 136949434
methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136956436
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958317
2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958335
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
CID 136958336
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958372
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-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid
CID 136958398
3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958404

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (CID 136958434) is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is CCC(Nc1cc(=O)[nH]c(C2CC2)n1)C(=O)O.
What is the InChIKey of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The InChIKey is BXEDKPKREQTVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-7(11(16)17)12-8-5-9(15)14-10(13-8)6-3-4-6/h5-7H,2-4H2,1H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
2-[(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 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 136958434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).