1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea

C9H19N3O2 — CID 117234373

IUPAC1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea
SMILESO=C(NCCCO)NCC1CCCN1
InChIInChI=1S/C9H19N3O2/c13-6-2-5-11-9(14)12-7-8-3-1-4-10-8/h8,10,13H,1-7H2,(H2,11,12,14)
InChIKeyUIQIDYQJFIQHBB-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.58
Rot. Bonds5

About 1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea

1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea (PubChem CID 117234373) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea
PubChem CID117234373
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea
SMILESO=C(NCCCO)NCC1CCCN1
InChIInChI=1S/C9H19N3O2/c13-6-2-5-11-9(14)12-7-8-3-1-4-10-8/h8,10,13H,1-7H2,(H2,11,12,14)
InChIKeyUIQIDYQJFIQHBB-UHFFFAOYSA-N
XLogP-0.58
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 ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-3-(pyrrolidin-2-ylmethyl)urea
CID 62540044
1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235868
1-(pyrrolidin-2-ylmethyl)-3-(thian-4-ylmethyl)urea
CID 117234673
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
3-(piperidin-2-ylmethylamino)propan-1-ol
CID 106633028
5-(pyrrolidin-2-ylmethylamino)pentan-1-ol
CID 107316712
1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea
CID 117235098
N-(pyrrolidin-2-ylmethyl)but-2-ynamide
CID 107990230
1-cyclopropyl-3-(piperidin-2-ylmethyl)urea
CID 62700229
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea
CID 117235828
[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea (CID 117234373) is 1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea is O=C(NCCCO)NCC1CCCN1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea?
The InChIKey is UIQIDYQJFIQHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c13-6-2-5-11-9(14)12-7-8-3-1-4-10-8/h8,10,13H,1-7H2,(H2,11,12,14).
What are the key properties of 1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea?
1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea has a molecular weight of 201.27 g/mol, XLogP of -0.58, 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-2-ylmethyl)urea is sourced from PubChem (CID 117234373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).