(1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

C7H15NO4 — CID 141351699

IUPAC(1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
SMILESN[C@@H]1C[C@H](OCCO)[C@H](O)[C@H]1O
InChIInChI=1S/C7H15NO4/c8-4-3-5(12-2-1-9)7(11)6(4)10/h4-7,9-11H,1-3,8H2/t4-,5+,6+,7+/m1/s1
InChIKeyDQRKNKYKLOMDMS-BWBBJGPYSA-N
MW177.20 g/mol
LogP-2.18
Rot. Bonds3

About (1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

(1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol (PubChem CID 141351699) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is (1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
PubChem CID141351699
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name(1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
SMILESN[C@@H]1C[C@H](OCCO)[C@H](O)[C@H]1O
InChIInChI=1S/C7H15NO4/c8-4-3-5(12-2-1-9)7(11)6(4)10/h4-7,9-11H,1-3,8H2/t4-,5+,6+,7+/m1/s1
InChIKeyDQRKNKYKLOMDMS-BWBBJGPYSA-N
XLogP-2.18
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol (CID 141351699) is (1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol is N[C@@H]1C[C@H](OCCO)[C@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol?
The InChIKey is DQRKNKYKLOMDMS-BWBBJGPYSA-N. The full InChI is InChI=1S/C7H15NO4/c8-4-3-5(12-2-1-9)7(11)6(4)10/h4-7,9-11H,1-3,8H2/t4-,5+,6+,7+/m1/s1.
What are the key properties of (1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol?
(1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol has a molecular weight of 177.20 g/mol, XLogP of -2.18, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol is sourced from PubChem (CID 141351699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).