3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea

C10H21N3O2 — CID 74884545

IUPAC3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea
SMILESCCCCNC(=O)N(C)C1CNCC1O
InChIInChI=1S/C10H21N3O2/c1-3-4-5-12-10(15)13(2)8-6-11-7-9(8)14/h8-9,11,14H,3-7H2,1-2H3,(H,12,15)
InChIKeyRMPSJNWTODQUKN-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.24
Rot. Bonds4

About 3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea

3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea (PubChem CID 74884545) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea.

Molecular Properties

Compound Name3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea
PubChem CID74884545
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea
SMILESCCCCNC(=O)N(C)C1CNCC1O
InChIInChI=1S/C10H21N3O2/c1-3-4-5-12-10(15)13(2)8-6-11-7-9(8)14/h8-9,11,14H,3-7H2,1-2H3,(H,12,15)
InChIKeyRMPSJNWTODQUKN-UHFFFAOYSA-N
XLogP-0.24
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide
CID 74884134
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide
CID 82987791
3-butyl-1-(butylcarbamoyl)-1-methylurea
CID 173294648
ethyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylcarbamate
CID 43596830
N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide
CID 114282302
3-butyl-1-methyl-1-[4-(propylamino)cyclohexyl]urea
CID 79122872
(3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide
CID 167356531
3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride
CID 154586687
4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol
CID 63702364
1-methyl-1-piperidin-4-yl-3-propylurea
CID 20569907
1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methyl-3-(3-methylphenyl)urea
CID 43596820
1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methyl-3-(4-nitrophenyl)urea
CID 43596808

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea?
The IUPAC name of 3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea (CID 74884545) is 3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea.
What is the SMILES notation for 3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea?
The canonical SMILES for 3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea is CCCCNC(=O)N(C)C1CNCC1O.
What is the InChIKey of 3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea?
The InChIKey is RMPSJNWTODQUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-3-4-5-12-10(15)13(2)8-6-11-7-9(8)14/h8-9,11,14H,3-7H2,1-2H3,(H,12,15).
What are the key properties of 3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea?
3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea has a molecular weight of 215.30 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea is sourced from PubChem (CID 74884545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).