1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(1S,3R)-3-methoxycyclohexyl]urea

C14H26N2O3 — CID 100688174

IUPAC1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(1S,3R)-3-methoxycyclohexyl]urea
SMILESCO[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CC[C@H](O)C2)C1
InChIInChI=1S/C14H26N2O3/c1-19-13-4-2-3-11(8-13)16-14(18)15-9-10-5-6-12(17)7-10/h10-13,17H,2-9H2,1H3,(H2,15,16,18)/t10-,11+,12+,13-/m1/s1
InChIKeyLXTUOFLFWFYROH-MROQNXINSA-N
MW270.37 g/mol
LogP1.40
Rot. Bonds4

About 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(1S,3R)-3-methoxycyclohexyl]urea

1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(1S,3R)-3-methoxycyclohexyl]urea (PubChem CID 100688174) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(1S,3R)-3-methoxycyclohexyl]urea.

Molecular Properties

Compound Name1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(1S,3R)-3-methoxycyclohexyl]urea
PubChem CID100688174
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(1S,3R)-3-methoxycyclohexyl]urea
SMILESCO[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CC[C@H](O)C2)C1
InChIInChI=1S/C14H26N2O3/c1-19-13-4-2-3-11(8-13)16-14(18)15-9-10-5-6-12(17)7-10/h10-13,17H,2-9H2,1H3,(H2,15,16,18)/t10-,11+,12+,13-/m1/s1
InChIKeyLXTUOFLFWFYROH-MROQNXINSA-N
XLogP1.40
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(1S,3R)-3-methoxycyclohexyl]urea?
The IUPAC name of 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(1S,3R)-3-methoxycyclohexyl]urea (CID 100688174) is 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(1S,3R)-3-methoxycyclohexyl]urea.
What is the SMILES notation for 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(1S,3R)-3-methoxycyclohexyl]urea?
The canonical SMILES for 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(1S,3R)-3-methoxycyclohexyl]urea is CO[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CC[C@H](O)C2)C1.
What is the InChIKey of 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(1S,3R)-3-methoxycyclohexyl]urea?
The InChIKey is LXTUOFLFWFYROH-MROQNXINSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-19-13-4-2-3-11(8-13)16-14(18)15-9-10-5-6-12(17)7-10/h10-13,17H,2-9H2,1H3,(H2,15,16,18)/t10-,11+,12+,13-/m1/s1.
What are the key properties of 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(1S,3R)-3-methoxycyclohexyl]urea?
1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(1S,3R)-3-methoxycyclohexyl]urea has a molecular weight of 270.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(1S,3R)-3-methoxycyclohexyl]urea is sourced from PubChem (CID 100688174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).