1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea

C13H25N3O2 — CID 124853235

IUPAC1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
SMILESCC(C)N1CC[C@@H](NC(=O)NC[C@H]2CCCO2)C1
InChIInChI=1S/C13H25N3O2/c1-10(2)16-6-5-11(9-16)15-13(17)14-8-12-4-3-7-18-12/h10-12H,3-9H2,1-2H3,(H2,14,15,17)/t11-,12-/m1/s1
InChIKeyLTSGIXRJTRXFNV-VXGBXAGGSA-N
MW255.36 g/mol
LogP0.95
Rot. Bonds4

About 1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea

1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea (PubChem CID 124853235) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
PubChem CID124853235
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
SMILESCC(C)N1CC[C@@H](NC(=O)NC[C@H]2CCCO2)C1
InChIInChI=1S/C13H25N3O2/c1-10(2)16-6-5-11(9-16)15-13(17)14-8-12-4-3-7-18-12/h10-12H,3-9H2,1-2H3,(H2,14,15,17)/t11-,12-/m1/s1
InChIKeyLTSGIXRJTRXFNV-VXGBXAGGSA-N
XLogP0.95
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea with MolForge

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Related Compounds

1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129365048
1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95762000
1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
CID 75865148
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide
CID 111542211
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid
CID 62669383
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 130272361
1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea
CID 111470902
1-(azepan-3-yl)-3-(oxan-2-ylmethyl)urea
CID 117235074
1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
CID 124742813
2-methyl-1-(oxolan-2-ylmethyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111138282

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea?
The IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea (CID 124853235) is 1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea is CC(C)N1CC[C@@H](NC(=O)NC[C@H]2CCCO2)C1.
What is the InChIKey of 1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea?
The InChIKey is LTSGIXRJTRXFNV-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)16-6-5-11(9-16)15-13(17)14-8-12-4-3-7-18-12/h10-12H,3-9H2,1-2H3,(H2,14,15,17)/t11-,12-/m1/s1.
What are the key properties of 1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea?
1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea has a molecular weight of 255.36 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea is sourced from PubChem (CID 124853235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).