1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea

C10H20N2O2 — CID 100656188

IUPAC1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea
SMILESC[C@@H]1CC[C@@H](NC(=O)NC[C@H](C)O)C1
InChIInChI=1S/C10H20N2O2/c1-7-3-4-9(5-7)12-10(14)11-6-8(2)13/h7-9,13H,3-6H2,1-2H3,(H2,11,12,14)/t7-,8+,9-/m1/s1
InChIKeyYBUYQMBFSMIQNC-HRDYMLBCSA-N
MW200.28 g/mol
LogP0.86
Rot. Bonds3

About 1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea

1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea (PubChem CID 100656188) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea
PubChem CID100656188
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea
SMILESC[C@@H]1CC[C@@H](NC(=O)NC[C@H](C)O)C1
InChIInChI=1S/C10H20N2O2/c1-7-3-4-9(5-7)12-10(14)11-6-8(2)13/h7-9,13H,3-6H2,1-2H3,(H2,11,12,14)/t7-,8+,9-/m1/s1
InChIKeyYBUYQMBFSMIQNC-HRDYMLBCSA-N
XLogP0.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea?
The IUPAC name of 1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea (CID 100656188) is 1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea.
What is the SMILES notation for 1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea?
The canonical SMILES for 1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea is C[C@@H]1CC[C@@H](NC(=O)NC[C@H](C)O)C1.
What is the InChIKey of 1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea?
The InChIKey is YBUYQMBFSMIQNC-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7-3-4-9(5-7)12-10(14)11-6-8(2)13/h7-9,13H,3-6H2,1-2H3,(H2,11,12,14)/t7-,8+,9-/m1/s1.
What are the key properties of 1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea?
1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea has a molecular weight of 200.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea is sourced from PubChem (CID 100656188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).