(2R,4S,5R)-5-(aminomethyl)oxolane-2,4-diol

C5H11NO3 — CID 138811180

IUPAC(2R,4S,5R)-5-(aminomethyl)oxolane-2,4-diol
SMILESNC[C@H]1O[C@@H](O)C[C@@H]1O
InChIInChI=1S/C5H11NO3/c6-2-4-3(7)1-5(8)9-4/h3-5,7-8H,1-2,6H2/t3-,4+,5+/m0/s1
InChIKeyASPSFUQCFCXNBB-VPENINKCSA-N
MW133.15 g/mol
LogP-1.59
Rot. Bonds1

About (2R,4S,5R)-5-(aminomethyl)oxolane-2,4-diol

(2R,4S,5R)-5-(aminomethyl)oxolane-2,4-diol (PubChem CID 138811180) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (2R,4S,5R)-5-(aminomethyl)oxolane-2,4-diol.

Molecular Properties

Compound Name(2R,4S,5R)-5-(aminomethyl)oxolane-2,4-diol
PubChem CID138811180
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(2R,4S,5R)-5-(aminomethyl)oxolane-2,4-diol
SMILESNC[C@H]1O[C@@H](O)C[C@@H]1O
InChIInChI=1S/C5H11NO3/c6-2-4-3(7)1-5(8)9-4/h3-5,7-8H,1-2,6H2/t3-,4+,5+/m0/s1
InChIKeyASPSFUQCFCXNBB-VPENINKCSA-N
XLogP-1.59
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-5-(aminomethyl)oxolane-2,4-diol?
The IUPAC name of (2R,4S,5R)-5-(aminomethyl)oxolane-2,4-diol (CID 138811180) is (2R,4S,5R)-5-(aminomethyl)oxolane-2,4-diol.
What is the SMILES notation for (2R,4S,5R)-5-(aminomethyl)oxolane-2,4-diol?
The canonical SMILES for (2R,4S,5R)-5-(aminomethyl)oxolane-2,4-diol is NC[C@H]1O[C@@H](O)C[C@@H]1O.
What is the InChIKey of (2R,4S,5R)-5-(aminomethyl)oxolane-2,4-diol?
The InChIKey is ASPSFUQCFCXNBB-VPENINKCSA-N. The full InChI is InChI=1S/C5H11NO3/c6-2-4-3(7)1-5(8)9-4/h3-5,7-8H,1-2,6H2/t3-,4+,5+/m0/s1.
What are the key properties of (2R,4S,5R)-5-(aminomethyl)oxolane-2,4-diol?
(2R,4S,5R)-5-(aminomethyl)oxolane-2,4-diol has a molecular weight of 133.15 g/mol, XLogP of -1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-5-(aminomethyl)oxolane-2,4-diol is sourced from PubChem (CID 138811180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).