[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate

C13H20N4O2 — CID 175972510

IUPAC[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate
SMILESC[C@@H]1CCN1C(=O)O[C@@H]1CC[C@H](c2cc(N)n[nH]2)C1
InChIInChI=1S/C13H20N4O2/c1-8-4-5-17(8)13(18)19-10-3-2-9(6-10)11-7-12(14)16-15-11/h7-10H,2-6H2,1H3,(H3,14,15,16)/t8-,9+,10-/m1/s1
InChIKeyYSKKYGWRMZKQKW-KXUCPTDWSA-N
MW264.33 g/mol
LogP1.86
Rot. Bonds2

About [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate

[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate (PubChem CID 175972510) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate.

Molecular Properties

Compound Name[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate
PubChem CID175972510
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate
SMILESC[C@@H]1CCN1C(=O)O[C@@H]1CC[C@H](c2cc(N)n[nH]2)C1
InChIInChI=1S/C13H20N4O2/c1-8-4-5-17(8)13(18)19-10-3-2-9(6-10)11-7-12(14)16-15-11/h7-10H,2-6H2,1H3,(H3,14,15,16)/t8-,9+,10-/m1/s1
InChIKeyYSKKYGWRMZKQKW-KXUCPTDWSA-N
XLogP1.86
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate?
The IUPAC name of [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate (CID 175972510) is [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate.
What is the SMILES notation for [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate?
The canonical SMILES for [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate is C[C@@H]1CCN1C(=O)O[C@@H]1CC[C@H](c2cc(N)n[nH]2)C1.
What is the InChIKey of [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate?
The InChIKey is YSKKYGWRMZKQKW-KXUCPTDWSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8-4-5-17(8)13(18)19-10-3-2-9(6-10)11-7-12(14)16-15-11/h7-10H,2-6H2,1H3,(H3,14,15,16)/t8-,9+,10-/m1/s1.
What are the key properties of [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate?
[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate is sourced from PubChem (CID 175972510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).