[(2R,4S)-2,4-diaminocyclopentyl] pyridine-4-carboxylate

C11H15N3O2 — CID 143194108

IUPAC[(2R,4S)-2,4-diaminocyclopentyl] pyridine-4-carboxylate
SMILESN[C@@H]1CC(OC(=O)c2ccncc2)[C@H](N)C1
InChIInChI=1S/C11H15N3O2/c12-8-5-9(13)10(6-8)16-11(15)7-1-3-14-4-2-7/h1-4,8-10H,5-6,12-13H2/t8-,9+,10?/m0/s1
InChIKeyBWFLVRCWWAIYEW-QIIDTADFSA-N
MW221.26 g/mol
LogP0.06
Rot. Bonds2

About [(2R,4S)-2,4-diaminocyclopentyl] pyridine-4-carboxylate

[(2R,4S)-2,4-diaminocyclopentyl] pyridine-4-carboxylate (PubChem CID 143194108) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is [(2R,4S)-2,4-diaminocyclopentyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[(2R,4S)-2,4-diaminocyclopentyl] pyridine-4-carboxylate
PubChem CID143194108
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name[(2R,4S)-2,4-diaminocyclopentyl] pyridine-4-carboxylate
SMILESN[C@@H]1CC(OC(=O)c2ccncc2)[C@H](N)C1
InChIInChI=1S/C11H15N3O2/c12-8-5-9(13)10(6-8)16-11(15)7-1-3-14-4-2-7/h1-4,8-10H,5-6,12-13H2/t8-,9+,10?/m0/s1
InChIKeyBWFLVRCWWAIYEW-QIIDTADFSA-N
XLogP0.06
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2,4-diaminocyclopentyl] pyridine-4-carboxylate?
The IUPAC name of [(2R,4S)-2,4-diaminocyclopentyl] pyridine-4-carboxylate (CID 143194108) is [(2R,4S)-2,4-diaminocyclopentyl] pyridine-4-carboxylate.
What is the SMILES notation for [(2R,4S)-2,4-diaminocyclopentyl] pyridine-4-carboxylate?
The canonical SMILES for [(2R,4S)-2,4-diaminocyclopentyl] pyridine-4-carboxylate is N[C@@H]1CC(OC(=O)c2ccncc2)[C@H](N)C1.
What is the InChIKey of [(2R,4S)-2,4-diaminocyclopentyl] pyridine-4-carboxylate?
The InChIKey is BWFLVRCWWAIYEW-QIIDTADFSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-8-5-9(13)10(6-8)16-11(15)7-1-3-14-4-2-7/h1-4,8-10H,5-6,12-13H2/t8-,9+,10?/m0/s1.
What are the key properties of [(2R,4S)-2,4-diaminocyclopentyl] pyridine-4-carboxylate?
[(2R,4S)-2,4-diaminocyclopentyl] pyridine-4-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-2,4-diaminocyclopentyl] pyridine-4-carboxylate is sourced from PubChem (CID 143194108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).