1,3-bis(dihydroxyamino)propan-2-ol

C3H10N2O5 — CID 139697819

IUPAC1,3-bis(dihydroxyamino)propan-2-ol
SMILESOC(CN(O)O)CN(O)O
InChIInChI=1S/C3H10N2O5/c6-3(1-4(7)8)2-5(9)10/h3,6-10H,1-2H2
InChIKeyZKKOCXKWFFMZGJ-UHFFFAOYSA-N
MW154.12 g/mol
LogP-1.49
Rot. Bonds4

About 1,3-bis(dihydroxyamino)propan-2-ol

1,3-bis(dihydroxyamino)propan-2-ol (PubChem CID 139697819) has the molecular formula C3H10N2O5 and a molecular weight of 154.12 g/mol. Its IUPAC name is 1,3-bis(dihydroxyamino)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(dihydroxyamino)propan-2-ol
PubChem CID139697819
Molecular FormulaC3H10N2O5
Molecular Weight154.12 g/mol
Exact Mass154.06
IUPAC Name1,3-bis(dihydroxyamino)propan-2-ol
SMILESOC(CN(O)O)CN(O)O
InChIInChI=1S/C3H10N2O5/c6-3(1-4(7)8)2-5(9)10/h3,6-10H,1-2H2
InChIKeyZKKOCXKWFFMZGJ-UHFFFAOYSA-N
XLogP-1.49
TPSA107.63 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-1.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 138503474
1-[hydroxy(2-methylpropyl)amino]ethanol
CID 139501207
tert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid
CID 138610691
1,3-bis[cyclooctyl(methyl)amino]propan-2-ol
CID 130316337
1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol
CID 139342756
1-[2-hydroxybutyl(oxido)amino]butan-2-ol
CID 88520164
1,7-bis(dimethylamino)heptane-2,6-diol
CID 122517238
(2R)-1-(dimethylamino)-3-sulfanylpropan-2-ol
CID 164542247
2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid
CID 158317116
1,3-difluoropropan-2-ol
CID 159459555
propane-1,2,3-triol;trichlororuthenium
CID 175099214
(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 92557045

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(dihydroxyamino)propan-2-ol?
The IUPAC name of 1,3-bis(dihydroxyamino)propan-2-ol (CID 139697819) is 1,3-bis(dihydroxyamino)propan-2-ol.
What is the SMILES notation for 1,3-bis(dihydroxyamino)propan-2-ol?
The canonical SMILES for 1,3-bis(dihydroxyamino)propan-2-ol is OC(CN(O)O)CN(O)O.
What is the InChIKey of 1,3-bis(dihydroxyamino)propan-2-ol?
The InChIKey is ZKKOCXKWFFMZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O5/c6-3(1-4(7)8)2-5(9)10/h3,6-10H,1-2H2.
What are the key properties of 1,3-bis(dihydroxyamino)propan-2-ol?
1,3-bis(dihydroxyamino)propan-2-ol has a molecular weight of 154.12 g/mol, XLogP of -1.49, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(dihydroxyamino)propan-2-ol is sourced from PubChem (CID 139697819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).