1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea

C13H18N2O2 — CID 40653337

IUPAC1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N[C@H]2CCC[C@@H]2O)cc1
InChIInChI=1S/C13H18N2O2/c1-9-5-7-10(8-6-9)14-13(17)15-11-3-2-4-12(11)16/h5-8,11-12,16H,2-4H2,1H3,(H2,14,15,17)/t11-,12-/m0/s1
InChIKeyWYQVMNNOJHPEAF-RYUDHWBXSA-N
MW234.30 g/mol
LogP2.03
Rot. Bonds2

About 1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea

1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea (PubChem CID 40653337) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea
PubChem CID40653337
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N[C@H]2CCC[C@@H]2O)cc1
InChIInChI=1S/C13H18N2O2/c1-9-5-7-10(8-6-9)14-13(17)15-11-3-2-4-12(11)16/h5-8,11-12,16H,2-4H2,1H3,(H2,14,15,17)/t11-,12-/m0/s1
InChIKeyWYQVMNNOJHPEAF-RYUDHWBXSA-N
XLogP2.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 40546318
N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide
CID 104953006
1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea
CID 55150019
trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
CID 93345908
1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
CID 79043190
1-(2,5-dimethylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 75948752
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea
CID 40596528
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea
CID 40596016
1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea
CID 110923455
1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
CID 63279412

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea (CID 40653337) is 1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)N[C@H]2CCC[C@@H]2O)cc1.
What is the InChIKey of 1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea?
The InChIKey is WYQVMNNOJHPEAF-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-5-7-10(8-6-9)14-13(17)15-11-3-2-4-12(11)16/h5-8,11-12,16H,2-4H2,1H3,(H2,14,15,17)/t11-,12-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea?
1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea has a molecular weight of 234.30 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 40653337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).