(1S)-1-[(2R,3R,4S)-4-amino-3-hydroxypyrrolidin-2-yl]ethane-1,2-diol

C6H14N2O3 — CID 121227015

IUPAC(1S)-1-[(2R,3R,4S)-4-amino-3-hydroxypyrrolidin-2-yl]ethane-1,2-diol
SMILESN[C@H]1CN[C@@H]([C@H](O)CO)[C@@H]1O
InChIInChI=1S/C6H14N2O3/c7-3-1-8-5(6(3)11)4(10)2-9/h3-6,8-11H,1-2,7H2/t3-,4+,5-,6+/m0/s1
InChIKeyOBXGWVXNSZMFIO-BGPJRJDNSA-N
MW162.19 g/mol
LogP-3.00
Rot. Bonds2

About (1S)-1-[(2R,3R,4S)-4-amino-3-hydroxypyrrolidin-2-yl]ethane-1,2-diol

(1S)-1-[(2R,3R,4S)-4-amino-3-hydroxypyrrolidin-2-yl]ethane-1,2-diol (PubChem CID 121227015) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is (1S)-1-[(2R,3R,4S)-4-amino-3-hydroxypyrrolidin-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[(2R,3R,4S)-4-amino-3-hydroxypyrrolidin-2-yl]ethane-1,2-diol
PubChem CID121227015
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name(1S)-1-[(2R,3R,4S)-4-amino-3-hydroxypyrrolidin-2-yl]ethane-1,2-diol
SMILESN[C@H]1CN[C@@H]([C@H](O)CO)[C@@H]1O
InChIInChI=1S/C6H14N2O3/c7-3-1-8-5(6(3)11)4(10)2-9/h3-6,8-11H,1-2,7H2/t3-,4+,5-,6+/m0/s1
InChIKeyOBXGWVXNSZMFIO-BGPJRJDNSA-N
XLogP-3.00
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-3.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R,3R,4S)-4-amino-3-hydroxypyrrolidin-2-yl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[(2R,3R,4S)-4-amino-3-hydroxypyrrolidin-2-yl]ethane-1,2-diol (CID 121227015) is (1S)-1-[(2R,3R,4S)-4-amino-3-hydroxypyrrolidin-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[(2R,3R,4S)-4-amino-3-hydroxypyrrolidin-2-yl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[(2R,3R,4S)-4-amino-3-hydroxypyrrolidin-2-yl]ethane-1,2-diol is N[C@H]1CN[C@@H]([C@H](O)CO)[C@@H]1O.
What is the InChIKey of (1S)-1-[(2R,3R,4S)-4-amino-3-hydroxypyrrolidin-2-yl]ethane-1,2-diol?
The InChIKey is OBXGWVXNSZMFIO-BGPJRJDNSA-N. The full InChI is InChI=1S/C6H14N2O3/c7-3-1-8-5(6(3)11)4(10)2-9/h3-6,8-11H,1-2,7H2/t3-,4+,5-,6+/m0/s1.
What are the key properties of (1S)-1-[(2R,3R,4S)-4-amino-3-hydroxypyrrolidin-2-yl]ethane-1,2-diol?
(1S)-1-[(2R,3R,4S)-4-amino-3-hydroxypyrrolidin-2-yl]ethane-1,2-diol has a molecular weight of 162.19 g/mol, XLogP of -3.00, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,3R,4S)-4-amino-3-hydroxypyrrolidin-2-yl]ethane-1,2-diol is sourced from PubChem (CID 121227015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).