1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C15H19N3O2 — CID 102549361

IUPAC1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2nc(C3CC3)nc3c2CCC3)C1
InChIInChI=1S/C15H19N3O2/c19-15(20)10-6-7-18(8-10)14-11-2-1-3-12(11)16-13(17-14)9-4-5-9/h9-10H,1-8H2,(H,19,20)
InChIKeyDCSBYYKQXHJMAM-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.75
Rot. Bonds3

About 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 102549361) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID102549361
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2nc(C3CC3)nc3c2CCC3)C1
InChIInChI=1S/C15H19N3O2/c19-15(20)10-6-7-18(8-10)14-11-2-1-3-12(11)16-13(17-14)9-4-5-9/h9-10H,1-8H2,(H,19,20)
InChIKeyDCSBYYKQXHJMAM-UHFFFAOYSA-N
XLogP1.75
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102549351
1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
CID 102549336
4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
CID 53192899
2-cyclopropyl-4-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 163350407
1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 102549318
[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45229762
N,N-diethyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 42591308
(3-hydroxyazetidin-1-yl)-[(3R)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 95199077
9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138219
(4-hydroxypiperidin-1-yl)-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 24819166
2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82567811
[3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 56719233

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 102549361) is 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2nc(C3CC3)nc3c2CCC3)C1.
What is the InChIKey of 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is DCSBYYKQXHJMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-15(20)10-6-7-18(8-10)14-11-2-1-3-12(11)16-13(17-14)9-4-5-9/h9-10H,1-8H2,(H,19,20).
What are the key properties of 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 102549361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).