1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea

C17H33N3O2 — CID 111438961

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
SMILESCCC(C)C(C)(O)CNC(=O)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C17H33N3O2/c1-4-13(2)17(3,22)12-18-16(21)19-14-9-10-20(11-14)15-7-5-6-8-15/h13-15,22H,4-12H2,1-3H3,(H2,18,19,21)
InChIKeyJMZIOVYMDWTUAA-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.10
Rot. Bonds6

About 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea

1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea (PubChem CID 111438961) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
PubChem CID111438961
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
SMILESCCC(C)C(C)(O)CNC(=O)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C17H33N3O2/c1-4-13(2)17(3,22)12-18-16(21)19-14-9-10-20(11-14)15-7-5-6-8-15/h13-15,22H,4-12H2,1-3H3,(H2,18,19,21)
InChIKeyJMZIOVYMDWTUAA-UHFFFAOYSA-N
XLogP2.10
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 111438962
1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-propylpiperidin-4-yl)urea
CID 111508128
1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea
CID 111438964
1-(2-hydroxy-2,3-dimethylbutyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 111121133
N-(1-cyclopentylpyrrolidin-3-yl)-2-methylpropanamide
CID 110459860
1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
CID 42383897
N-(2-hydroxy-2,3-dimethylpentyl)cyclopentanecarboxamide
CID 111463685
4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 81069360
1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111506189
tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
CID 68513412
5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid
CID 82014997
1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95309399

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea (CID 111438961) is 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea is CCC(C)C(C)(O)CNC(=O)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
The InChIKey is JMZIOVYMDWTUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-4-13(2)17(3,22)12-18-16(21)19-14-9-10-20(11-14)15-7-5-6-8-15/h13-15,22H,4-12H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea has a molecular weight of 311.47 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea is sourced from PubChem (CID 111438961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).