3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea

C8H17N3O2 — CID 114760994

IUPAC3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC1(O)CCNC1
InChIInChI=1S/C8H17N3O2/c1-11(2)7(12)10-6-8(13)3-4-9-5-8/h9,13H,3-6H2,1-2H3,(H,10,12)
InChIKeyOOANUDWKOGNWRN-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.02
Rot. Bonds2

About 3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea

3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea (PubChem CID 114760994) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea
PubChem CID114760994
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC1(O)CCNC1
InChIInChI=1S/C8H17N3O2/c1-11(2)7(12)10-6-8(13)3-4-9-5-8/h9,13H,3-6H2,1-2H3,(H,10,12)
InChIKeyOOANUDWKOGNWRN-UHFFFAOYSA-N
XLogP-1.02
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 56893628
2,3,4,5,6-pentafluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 114760608
4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 114760533
N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 83110875
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107176150
2-cyclopentyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 114760691
2-cyclobutyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 103162273
3-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine
CID 114760127
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide
CID 114760837
N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide
CID 114760680
3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea
CID 103764918
3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 114760734

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea?
The IUPAC name of 3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea (CID 114760994) is 3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea is CN(C)C(=O)NCC1(O)CCNC1.
What is the InChIKey of 3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea?
The InChIKey is OOANUDWKOGNWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-11(2)7(12)10-6-8(13)3-4-9-5-8/h9,13H,3-6H2,1-2H3,(H,10,12).
What are the key properties of 3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea?
3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea has a molecular weight of 187.24 g/mol, XLogP of -1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea is sourced from PubChem (CID 114760994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).