3-amino-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C12H16N4O3 — CID 136689860

IUPAC3-amino-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C12H16N4O3/c13-12(11(18)19)3-4-16(6-12)8-5-9(17)15-10(14-8)7-1-2-7/h5,7H,1-4,6,13H2,(H,18,19)(H,14,15,17)
InChIKeySTFACMZVWGJFDA-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.36
Rot. Bonds3

About 3-amino-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 136689860) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-amino-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID136689860
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name3-amino-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C12H16N4O3/c13-12(11(18)19)3-4-16(6-12)8-5-9(17)15-10(14-8)7-1-2-7/h5,7H,1-4,6,13H2,(H,18,19)(H,14,15,17)
InChIKeySTFACMZVWGJFDA-UHFFFAOYSA-N
XLogP-0.36
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 136689860) is 3-amino-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(c2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 3-amino-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is STFACMZVWGJFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-12(11(18)19)3-4-16(6-12)8-5-9(17)15-10(14-8)7-1-2-7/h5,7H,1-4,6,13H2,(H,18,19)(H,14,15,17).
What are the key properties of 3-amino-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 136689860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).