1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea

C15H31N3O2 — CID 109499738

IUPAC1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea
SMILESCCC(CCO)NC(=O)NC[C@@H]1CCCN1CC(C)C
InChIInChI=1S/C15H31N3O2/c1-4-13(7-9-19)17-15(20)16-10-14-6-5-8-18(14)11-12(2)3/h12-14,19H,4-11H2,1-3H3,(H2,16,17,20)/t13?,14-/m0/s1
InChIKeyOKLTWJNOINXPLK-KZUDCZAMSA-N
MW285.43 g/mol
LogP1.57
Rot. Bonds8

About 1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea

1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea (PubChem CID 109499738) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea
PubChem CID109499738
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea
SMILESCCC(CCO)NC(=O)NC[C@@H]1CCCN1CC(C)C
InChIInChI=1S/C15H31N3O2/c1-4-13(7-9-19)17-15(20)16-10-14-6-5-8-18(14)11-12(2)3/h12-14,19H,4-11H2,1-3H3,(H2,16,17,20)/t13?,14-/m0/s1
InChIKeyOKLTWJNOINXPLK-KZUDCZAMSA-N
XLogP1.57
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea with MolForge

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Related Compounds

1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111455670
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine
CID 103904920
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea
CID 109490230
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea
CID 109499715
(2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 80757650
2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
CID 117028492
N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea
CID 111454492
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid
CID 61189907
1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111506167
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 110028309

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea?
The IUPAC name of 1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea (CID 109499738) is 1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea.
What is the SMILES notation for 1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea?
The canonical SMILES for 1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea is CCC(CCO)NC(=O)NC[C@@H]1CCCN1CC(C)C.
What is the InChIKey of 1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea?
The InChIKey is OKLTWJNOINXPLK-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-13(7-9-19)17-15(20)16-10-14-6-5-8-18(14)11-12(2)3/h12-14,19H,4-11H2,1-3H3,(H2,16,17,20)/t13?,14-/m0/s1.
What are the key properties of 1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea?
1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea has a molecular weight of 285.43 g/mol, XLogP of 1.57, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea is sourced from PubChem (CID 109499738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).