(2S)-1-amino-3-aminooxypropan-2-ol

C3H10N2O2 — CID 13273094

IUPAC(2S)-1-amino-3-aminooxypropan-2-ol
SMILESNC[C@H](O)CON
InChIInChI=1S/C3H10N2O2/c4-1-3(6)2-7-5/h3,6H,1-2,4-5H2/t3-/m0/s1
InChIKeyUFOZXNZOYKGSQO-VKHMYHEASA-N
MW106.12 g/mol
LogP-1.80
Rot. Bonds3

About (2S)-1-amino-3-aminooxypropan-2-ol

(2S)-1-amino-3-aminooxypropan-2-ol (PubChem CID 13273094) has the molecular formula C3H10N2O2 and a molecular weight of 106.12 g/mol. Its IUPAC name is (2S)-1-amino-3-aminooxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-aminooxypropan-2-ol
PubChem CID13273094
Molecular FormulaC3H10N2O2
Molecular Weight106.12 g/mol
Exact Mass106.07
IUPAC Name(2S)-1-amino-3-aminooxypropan-2-ol
SMILESNC[C@H](O)CON
InChIInChI=1S/C3H10N2O2/c4-1-3(6)2-7-5/h3,6H,1-2,4-5H2/t3-/m0/s1
InChIKeyUFOZXNZOYKGSQO-VKHMYHEASA-N
XLogP-1.80
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Amino-1,2-propanediol
CID 73561
1-Amino-3-(aminooxy)propan-2-ol
CID 13273093
(R)1-Amino-3-aminooxy-propan-2-ol
CID 13273095
1-Amino-3-aminooxypropan-2-ol;dihydrochloride
CID 20488683
3-Amino-1,2-propanediol, (S)-
CID 440902
(2R)-3-aminopropane-1,2-diol
CID 6994409
(2S)-3-aminopropane-1,2-diol hydrochloride
CID 53487907
(R)-3-aminopropane-1,2-diol hydrochloride
CID 132586878
Rel-(2R,3S)-1,4-diaminobutane-2,3-diol
CID 11073400
1,4-Diaminobutane-2,3-diol
CID 4140858
(S,S)-1,4-diamino-butane-2,3-diol
CID 11789191
Aminoglycerol
CID 14877135

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-aminooxypropan-2-ol?
The IUPAC name of (2S)-1-amino-3-aminooxypropan-2-ol (CID 13273094) is (2S)-1-amino-3-aminooxypropan-2-ol.
What is the SMILES notation for (2S)-1-amino-3-aminooxypropan-2-ol?
The canonical SMILES for (2S)-1-amino-3-aminooxypropan-2-ol is NC[C@H](O)CON.
What is the InChIKey of (2S)-1-amino-3-aminooxypropan-2-ol?
The InChIKey is UFOZXNZOYKGSQO-VKHMYHEASA-N. The full InChI is InChI=1S/C3H10N2O2/c4-1-3(6)2-7-5/h3,6H,1-2,4-5H2/t3-/m0/s1.
What are the key properties of (2S)-1-amino-3-aminooxypropan-2-ol?
(2S)-1-amino-3-aminooxypropan-2-ol has a molecular weight of 106.12 g/mol, XLogP of -1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-aminooxypropan-2-ol is sourced from PubChem (CID 13273094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).