3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol

C10H21NO4 — CID 123237093

IUPAC3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol
SMILESCC(C)OC1C(N)CC(OCCO)C1O
InChIInChI=1S/C10H21NO4/c1-6(2)15-10-7(11)5-8(9(10)13)14-4-3-12/h6-10,12-13H,3-5,11H2,1-2H3
InChIKeyLAXIVRURLJGZPN-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.75
Rot. Bonds5

About 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol

3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol (PubChem CID 123237093) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol
PubChem CID123237093
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol
SMILESCC(C)OC1C(N)CC(OCCO)C1O
InChIInChI=1S/C10H21NO4/c1-6(2)15-10-7(11)5-8(9(10)13)14-4-3-12/h6-10,12-13H,3-5,11H2,1-2H3
InChIKeyLAXIVRURLJGZPN-UHFFFAOYSA-N
XLogP-0.75
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol?
The IUPAC name of 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol (CID 123237093) is 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol.
What is the SMILES notation for 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol?
The canonical SMILES for 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol is CC(C)OC1C(N)CC(OCCO)C1O.
What is the InChIKey of 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol?
The InChIKey is LAXIVRURLJGZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-6(2)15-10-7(11)5-8(9(10)13)14-4-3-12/h6-10,12-13H,3-5,11H2,1-2H3.
What are the key properties of 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol?
3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol has a molecular weight of 219.28 g/mol, XLogP of -0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol is sourced from PubChem (CID 123237093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).