[(1R,3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclopentyl]carbamic acid

C13H25NO6 — CID 138694512

IUPAC[(1R,3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclopentyl]carbamic acid
SMILESO=C(O)N[C@@H]1CC[C@@H](COCCOCCOCCO)C1
InChIInChI=1S/C13H25NO6/c15-3-4-18-5-6-19-7-8-20-10-11-1-2-12(9-11)14-13(16)17/h11-12,14-15H,1-10H2,(H,16,17)/t11-,12-/m1/s1
InChIKeyODCDJQMZHTYFBL-VXGBXAGGSA-N
MW291.34 g/mol
LogP0.46
Rot. Bonds11

About [(1R,3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclopentyl]carbamic acid

[(1R,3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclopentyl]carbamic acid (PubChem CID 138694512) has the molecular formula C13H25NO6 and a molecular weight of 291.34 g/mol. Its IUPAC name is [(1R,3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclopentyl]carbamic acid.

Molecular Properties

Compound Name[(1R,3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclopentyl]carbamic acid
PubChem CID138694512
Molecular FormulaC13H25NO6
Molecular Weight291.34 g/mol
Exact Mass291.17
IUPAC Name[(1R,3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclopentyl]carbamic acid
SMILESO=C(O)N[C@@H]1CC[C@@H](COCCOCCOCCO)C1
InChIInChI=1S/C13H25NO6/c15-3-4-18-5-6-19-7-8-20-10-11-1-2-12(9-11)14-13(16)17/h11-12,14-15H,1-10H2,(H,16,17)/t11-,12-/m1/s1
InChIKeyODCDJQMZHTYFBL-VXGBXAGGSA-N
XLogP0.46
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclobutyl]carbamic acid
CID 138694811
[3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl]carbamic acid
CID 138694104
[4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid
CID 138695815
[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 174154998
[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 20729705
[(3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 89477249
[(1S,3R)-3-aminocyclopentyl]carbamic acid
CID 67513100
2-[2-(cyclopentylmethoxy)ethoxy]ethanol
CID 59001866
(3-aminocyclopentyl)carbamic acid
CID 69243227
[(3R)-3-aminocyclopentyl]carbamic acid
CID 68775558
2-[2-[2-[2-(cyclohexylmethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 142615958
[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid
CID 166709107

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclopentyl]carbamic acid?
The IUPAC name of [(1R,3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclopentyl]carbamic acid (CID 138694512) is [(1R,3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclopentyl]carbamic acid.
What is the SMILES notation for [(1R,3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclopentyl]carbamic acid?
The canonical SMILES for [(1R,3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclopentyl]carbamic acid is O=C(O)N[C@@H]1CC[C@@H](COCCOCCOCCO)C1.
What is the InChIKey of [(1R,3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclopentyl]carbamic acid?
The InChIKey is ODCDJQMZHTYFBL-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H25NO6/c15-3-4-18-5-6-19-7-8-20-10-11-1-2-12(9-11)14-13(16)17/h11-12,14-15H,1-10H2,(H,16,17)/t11-,12-/m1/s1.
What are the key properties of [(1R,3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclopentyl]carbamic acid?
[(1R,3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclopentyl]carbamic acid has a molecular weight of 291.34 g/mol, XLogP of 0.46, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclopentyl]carbamic acid is sourced from PubChem (CID 138694512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).