1-(1,2-dimethylpyrrolidin-3-yl)-3-[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]urea

C15H30N4O2 — CID 166255488

IUPAC1-(1,2-dimethylpyrrolidin-3-yl)-3-[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]urea
SMILESCC1C(NC(=O)N[C@@H]2CCN(CC(C)(C)O)C2)CCN1C
InChIInChI=1S/C15H30N4O2/c1-11-13(6-7-18(11)4)17-14(20)16-12-5-8-19(9-12)10-15(2,3)21/h11-13,21H,5-10H2,1-4H3,(H2,16,17,20)/t11?,12-,13?/m1/s1
InChIKeyIYHZQMOEFKKGAJ-OTTFEQOBSA-N
MW298.43 g/mol
LogP0.22
Rot. Bonds4

About 1-(1,2-dimethylpyrrolidin-3-yl)-3-[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]urea

1-(1,2-dimethylpyrrolidin-3-yl)-3-[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]urea (PubChem CID 166255488) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(1,2-dimethylpyrrolidin-3-yl)-3-[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(1,2-dimethylpyrrolidin-3-yl)-3-[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]urea
PubChem CID166255488
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name1-(1,2-dimethylpyrrolidin-3-yl)-3-[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]urea
SMILESCC1C(NC(=O)N[C@@H]2CCN(CC(C)(C)O)C2)CCN1C
InChIInChI=1S/C15H30N4O2/c1-11-13(6-7-18(11)4)17-14(20)16-12-5-8-19(9-12)10-15(2,3)21/h11-13,21H,5-10H2,1-4H3,(H2,16,17,20)/t11?,12-,13?/m1/s1
InChIKeyIYHZQMOEFKKGAJ-OTTFEQOBSA-N
XLogP0.22
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylpyrrolidin-3-yl)-3-[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(1,2-dimethylpyrrolidin-3-yl)-3-[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]urea (CID 166255488) is 1-(1,2-dimethylpyrrolidin-3-yl)-3-[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(1,2-dimethylpyrrolidin-3-yl)-3-[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(1,2-dimethylpyrrolidin-3-yl)-3-[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]urea is CC1C(NC(=O)N[C@@H]2CCN(CC(C)(C)O)C2)CCN1C.
What is the InChIKey of 1-(1,2-dimethylpyrrolidin-3-yl)-3-[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]urea?
The InChIKey is IYHZQMOEFKKGAJ-OTTFEQOBSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-11-13(6-7-18(11)4)17-14(20)16-12-5-8-19(9-12)10-15(2,3)21/h11-13,21H,5-10H2,1-4H3,(H2,16,17,20)/t11?,12-,13?/m1/s1.
What are the key properties of 1-(1,2-dimethylpyrrolidin-3-yl)-3-[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]urea?
1-(1,2-dimethylpyrrolidin-3-yl)-3-[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]urea has a molecular weight of 298.43 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylpyrrolidin-3-yl)-3-[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 166255488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).