(1R,2S,3R,5R)-4-amino-3,5-dimethoxycyclopentane-1,2-diol

C7H15NO4 — CID 11579214

IUPAC(1R,2S,3R,5R)-4-amino-3,5-dimethoxycyclopentane-1,2-diol
SMILESCO[C@@H]1C(N)[C@@H](OC)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H15NO4/c1-11-6-3(8)7(12-2)5(10)4(6)9/h3-7,9-10H,8H2,1-2H3/t3?,4-,5+,6-,7-/m1/s1
InChIKeyLFIWDMUYTNOWMJ-BOYHRMMASA-N
MW177.20 g/mol
LogP-1.92
Rot. Bonds2

About (1R,2S,3R,5R)-4-amino-3,5-dimethoxycyclopentane-1,2-diol

(1R,2S,3R,5R)-4-amino-3,5-dimethoxycyclopentane-1,2-diol (PubChem CID 11579214) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is (1R,2S,3R,5R)-4-amino-3,5-dimethoxycyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-4-amino-3,5-dimethoxycyclopentane-1,2-diol
PubChem CID11579214
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name(1R,2S,3R,5R)-4-amino-3,5-dimethoxycyclopentane-1,2-diol
SMILESCO[C@@H]1C(N)[C@@H](OC)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H15NO4/c1-11-6-3(8)7(12-2)5(10)4(6)9/h3-7,9-10H,8H2,1-2H3/t3?,4-,5+,6-,7-/m1/s1
InChIKeyLFIWDMUYTNOWMJ-BOYHRMMASA-N
XLogP-1.92
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-4-amino-3,5-dimethoxycyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-4-amino-3,5-dimethoxycyclopentane-1,2-diol (CID 11579214) is (1R,2S,3R,5R)-4-amino-3,5-dimethoxycyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-4-amino-3,5-dimethoxycyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-4-amino-3,5-dimethoxycyclopentane-1,2-diol is CO[C@@H]1C(N)[C@@H](OC)[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,3R,5R)-4-amino-3,5-dimethoxycyclopentane-1,2-diol?
The InChIKey is LFIWDMUYTNOWMJ-BOYHRMMASA-N. The full InChI is InChI=1S/C7H15NO4/c1-11-6-3(8)7(12-2)5(10)4(6)9/h3-7,9-10H,8H2,1-2H3/t3?,4-,5+,6-,7-/m1/s1.
What are the key properties of (1R,2S,3R,5R)-4-amino-3,5-dimethoxycyclopentane-1,2-diol?
(1R,2S,3R,5R)-4-amino-3,5-dimethoxycyclopentane-1,2-diol has a molecular weight of 177.20 g/mol, XLogP of -1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-4-amino-3,5-dimethoxycyclopentane-1,2-diol is sourced from PubChem (CID 11579214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).