(3R,4R,5S)-3,4-diamino-5-(aminomethyl)oxolan-2-one

C5H11N3O2 — CID 162971297

IUPAC(3R,4R,5S)-3,4-diamino-5-(aminomethyl)oxolan-2-one
SMILESNC[C@@H]1OC(=O)[C@H](N)[C@H]1N
InChIInChI=1S/C5H11N3O2/c6-1-2-3(7)4(8)5(9)10-2/h2-4H,1,6-8H2/t2-,3-,4+/m0/s1
InChIKeyDVELXLKFMZFAEV-YVZJFKFKSA-N
MW145.16 g/mol
LogP-2.47
Rot. Bonds1

About (3R,4R,5S)-3,4-diamino-5-(aminomethyl)oxolan-2-one

(3R,4R,5S)-3,4-diamino-5-(aminomethyl)oxolan-2-one (PubChem CID 162971297) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3R,4R,5S)-3,4-diamino-5-(aminomethyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5S)-3,4-diamino-5-(aminomethyl)oxolan-2-one
PubChem CID162971297
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name(3R,4R,5S)-3,4-diamino-5-(aminomethyl)oxolan-2-one
SMILESNC[C@@H]1OC(=O)[C@H](N)[C@H]1N
InChIInChI=1S/C5H11N3O2/c6-1-2-3(7)4(8)5(9)10-2/h2-4H,1,6-8H2/t2-,3-,4+/m0/s1
InChIKeyDVELXLKFMZFAEV-YVZJFKFKSA-N
XLogP-2.47
TPSA104.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-2.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-3,4-diamino-5-(aminomethyl)oxolan-2-one?
The IUPAC name of (3R,4R,5S)-3,4-diamino-5-(aminomethyl)oxolan-2-one (CID 162971297) is (3R,4R,5S)-3,4-diamino-5-(aminomethyl)oxolan-2-one.
What is the SMILES notation for (3R,4R,5S)-3,4-diamino-5-(aminomethyl)oxolan-2-one?
The canonical SMILES for (3R,4R,5S)-3,4-diamino-5-(aminomethyl)oxolan-2-one is NC[C@@H]1OC(=O)[C@H](N)[C@H]1N.
What is the InChIKey of (3R,4R,5S)-3,4-diamino-5-(aminomethyl)oxolan-2-one?
The InChIKey is DVELXLKFMZFAEV-YVZJFKFKSA-N. The full InChI is InChI=1S/C5H11N3O2/c6-1-2-3(7)4(8)5(9)10-2/h2-4H,1,6-8H2/t2-,3-,4+/m0/s1.
What are the key properties of (3R,4R,5S)-3,4-diamino-5-(aminomethyl)oxolan-2-one?
(3R,4R,5S)-3,4-diamino-5-(aminomethyl)oxolan-2-one has a molecular weight of 145.16 g/mol, XLogP of -2.47, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-3,4-diamino-5-(aminomethyl)oxolan-2-one is sourced from PubChem (CID 162971297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).