1-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]-3-ethylurea

C13H19N3O3 — CID 71693798

IUPAC1-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]-3-ethylurea
SMILESCCNC(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccncc1
InChIInChI=1S/C13H19N3O3/c1-2-15-13(19)16-11-9(7-10(17)12(11)18)8-3-5-14-6-4-8/h3-6,9-12,17-18H,2,7H2,1H3,(H2,15,16,19)/t9-,10-,11-,12-/m1/s1
InChIKeyPZJZRGHKSHHRJL-DDHJBXDOSA-N
MW265.31 g/mol
LogP-0.02
Rot. Bonds3

About 1-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]-3-ethylurea

1-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]-3-ethylurea (PubChem CID 71693798) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]-3-ethylurea
PubChem CID71693798
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]-3-ethylurea
SMILESCCNC(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccncc1
InChIInChI=1S/C13H19N3O3/c1-2-15-13(19)16-11-9(7-10(17)12(11)18)8-3-5-14-6-4-8/h3-6,9-12,17-18H,2,7H2,1H3,(H2,15,16,19)/t9-,10-,11-,12-/m1/s1
InChIKeyPZJZRGHKSHHRJL-DDHJBXDOSA-N
XLogP-0.02
TPSA94.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]-3-ethylurea?
The IUPAC name of 1-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]-3-ethylurea (CID 71693798) is 1-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]-3-ethylurea.
What is the SMILES notation for 1-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]-3-ethylurea?
The canonical SMILES for 1-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]-3-ethylurea is CCNC(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccncc1.
What is the InChIKey of 1-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]-3-ethylurea?
The InChIKey is PZJZRGHKSHHRJL-DDHJBXDOSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-15-13(19)16-11-9(7-10(17)12(11)18)8-3-5-14-6-4-8/h3-6,9-12,17-18H,2,7H2,1H3,(H2,15,16,19)/t9-,10-,11-,12-/m1/s1.
What are the key properties of 1-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]-3-ethylurea?
1-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]-3-ethylurea has a molecular weight of 265.31 g/mol, XLogP of -0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]-3-ethylurea is sourced from PubChem (CID 71693798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).