1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea

C9H19N3O2 — CID 117234379

IUPAC1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea
SMILESO=C(NCCCO)NCC1CCNC1
InChIInChI=1S/C9H19N3O2/c13-5-1-3-11-9(14)12-7-8-2-4-10-6-8/h8,10,13H,1-7H2,(H2,11,12,14)
InChIKeyDVBXLQLCJRLGHC-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.72
Rot. Bonds5

About 1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea

1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea (PubChem CID 117234379) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea
PubChem CID117234379
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea
SMILESO=C(NCCCO)NCC1CCNC1
InChIInChI=1S/C9H19N3O2/c13-5-1-3-11-9(14)12-7-8-2-4-10-6-8/h8,10,13H,1-7H2,(H2,11,12,14)
InChIKeyDVBXLQLCJRLGHC-UHFFFAOYSA-N
XLogP-0.72
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(pyrrolidin-3-ylmethylcarbamoylamino)propanoic acid
CID 117234624
1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
CID 59006471
1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea
CID 108902594
1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117234373
2,2-dimethyl-N-(pyrrolidin-3-ylmethyl)propanamide
CID 58790353
3-(piperidin-3-ylmethylamino)propan-1-ol
CID 80553574
2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide
CID 174605600
1-(2-piperidin-1-ylethyl)-3-(piperidin-3-ylmethyl)urea
CID 117235876
N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide
CID 106841935
1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117235917
2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 172876281
1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234533

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea (CID 117234379) is 1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea is O=C(NCCCO)NCC1CCNC1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea?
The InChIKey is DVBXLQLCJRLGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c13-5-1-3-11-9(14)12-7-8-2-4-10-6-8/h8,10,13H,1-7H2,(H2,11,12,14).
What are the key properties of 1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea?
1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea has a molecular weight of 201.27 g/mol, XLogP of -0.72, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea is sourced from PubChem (CID 117234379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).