2-aminopropane-1,1,1,3-tetrol

C3H9NO4 — CID 150672283

IUPAC2-aminopropane-1,1,1,3-tetrol
SMILESNC(CO)C(O)(O)O
InChIInChI=1S/C3H9NO4/c4-2(1-5)3(6,7)8/h2,5-8H,1,4H2
InChIKeyJGCYQDLBVXFPCC-UHFFFAOYSA-N
MW123.11 g/mol
LogP-3.06
Rot. Bonds2

About 2-aminopropane-1,1,1,3-tetrol

2-aminopropane-1,1,1,3-tetrol (PubChem CID 150672283) has the molecular formula C3H9NO4 and a molecular weight of 123.11 g/mol. Its IUPAC name is 2-aminopropane-1,1,1,3-tetrol.

Molecular Properties

Compound Name2-aminopropane-1,1,1,3-tetrol
PubChem CID150672283
Molecular FormulaC3H9NO4
Molecular Weight123.11 g/mol
Exact Mass123.05
IUPAC Name2-aminopropane-1,1,1,3-tetrol
SMILESNC(CO)C(O)(O)O
InChIInChI=1S/C3H9NO4/c4-2(1-5)3(6,7)8/h2,5-8H,1,4H2
InChIKeyJGCYQDLBVXFPCC-UHFFFAOYSA-N
XLogP-3.06
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 5-3.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-methylbutane-1,3-diol
CID 15780959
(2S)-2-amino-3-methyl-3-sulfanylbutan-1-ol
CID 55285045
(2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol
CID 55290183
2-amino-3,3-difluorobutan-1-ol;ethane
CID 170584930
2-amino-3-(trifluoromethyl)pentane-1,3-diol;hydrochloride
CID 174612782
2-aminoheptane-1,1,1-triol
CID 90384529
(1R)-1-aminoethane-1,2-diol
CID 140649256
(2S)-2-amino-3-methyloctadecane-1,3-diol
CID 11370484
(2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol
CID 71661659
2-aminotetradecane-1,1,1-triol;hydrochloride
CID 173374049
3-amino-4-methylpentane-1,4-diol
CID 58522169
2-aminoethane-1,1,1,2-tetrol;hydrochloride
CID 173410323

Frequently Asked Questions

What is the IUPAC name of 2-aminopropane-1,1,1,3-tetrol?
The IUPAC name of 2-aminopropane-1,1,1,3-tetrol (CID 150672283) is 2-aminopropane-1,1,1,3-tetrol.
What is the SMILES notation for 2-aminopropane-1,1,1,3-tetrol?
The canonical SMILES for 2-aminopropane-1,1,1,3-tetrol is NC(CO)C(O)(O)O.
What is the InChIKey of 2-aminopropane-1,1,1,3-tetrol?
The InChIKey is JGCYQDLBVXFPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO4/c4-2(1-5)3(6,7)8/h2,5-8H,1,4H2.
What are the key properties of 2-aminopropane-1,1,1,3-tetrol?
2-aminopropane-1,1,1,3-tetrol has a molecular weight of 123.11 g/mol, XLogP of -3.06, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropane-1,1,1,3-tetrol is sourced from PubChem (CID 150672283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).