(3S,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-one

C6H11NO4 — CID 130893170

IUPAC(3S,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-one
SMILESN[C@H]1C[C@@H]([C@H](O)CO)OC1=O
InChIInChI=1S/C6H11NO4/c7-3-1-5(4(9)2-8)11-6(3)10/h3-5,8-9H,1-2,7H2/t3-,4+,5-/m0/s1
InChIKeyYFOCVDRXKZVXCT-LMVFSUKVSA-N
MW161.16 g/mol
LogP-2.02
Rot. Bonds2

About (3S,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-one

(3S,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-one (PubChem CID 130893170) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (3S,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-one
PubChem CID130893170
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(3S,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-one
SMILESN[C@H]1C[C@@H]([C@H](O)CO)OC1=O
InChIInChI=1S/C6H11NO4/c7-3-1-5(4(9)2-8)11-6(3)10/h3-5,8-9H,1-2,7H2/t3-,4+,5-/m0/s1
InChIKeyYFOCVDRXKZVXCT-LMVFSUKVSA-N
XLogP-2.02
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,2-dihydroxyethyl)-3-ethyloxolan-2-one
CID 68573722
(3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one
CID 15560245
(3S,5S)-3-chloro-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-one
CID 14559212
(3S,5R)-5-[(1R)-1,3-dihydroxypropyl]-3-methyloxolan-2-one
CID 130918436
(3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one
CID 124879599
(3R,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-3-methyloxolan-2-one
CID 10012657
(3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one
CID 66645583
(3S,5S)-3-amino-5-butyloxolan-2-one
CID 45082203
(3S)-3-amino-5-butyloxolan-2-one
CID 23562305
(5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione
CID 71616927
(4S,5R)-5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one
CID 24802183
(3R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one
CID 134256631

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-one?
The IUPAC name of (3S,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-one (CID 130893170) is (3S,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-one.
What is the SMILES notation for (3S,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-one?
The canonical SMILES for (3S,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-one is N[C@H]1C[C@@H]([C@H](O)CO)OC1=O.
What is the InChIKey of (3S,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-one?
The InChIKey is YFOCVDRXKZVXCT-LMVFSUKVSA-N. The full InChI is InChI=1S/C6H11NO4/c7-3-1-5(4(9)2-8)11-6(3)10/h3-5,8-9H,1-2,7H2/t3-,4+,5-/m0/s1.
What are the key properties of (3S,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-one?
(3S,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-one has a molecular weight of 161.16 g/mol, XLogP of -2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-one is sourced from PubChem (CID 130893170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).