(2S)-1-aminopropane-1,1,2-triol

C3H9NO3 — CID 25141054

IUPAC(2S)-1-aminopropane-1,1,2-triol
SMILESC[C@H](O)C(N)(O)O
InChIInChI=1S/C3H9NO3/c1-2(5)3(4,6)7/h2,5-7H,4H2,1H3/t2-/m0/s1
InChIKeyODJPPJZNHKDEAZ-REOHCLBHSA-N
MW107.11 g/mol
LogP-2.04
Rot. Bonds1

About (2S)-1-aminopropane-1,1,2-triol

(2S)-1-aminopropane-1,1,2-triol (PubChem CID 25141054) has the molecular formula C3H9NO3 and a molecular weight of 107.11 g/mol. Its IUPAC name is (2S)-1-aminopropane-1,1,2-triol.

Molecular Properties

Compound Name(2S)-1-aminopropane-1,1,2-triol
PubChem CID25141054
Molecular FormulaC3H9NO3
Molecular Weight107.11 g/mol
Exact Mass107.06
IUPAC Name(2S)-1-aminopropane-1,1,2-triol
SMILESC[C@H](O)C(N)(O)O
InChIInChI=1S/C3H9NO3/c1-2(5)3(4,6)7/h2,5-7H,4H2,1H3/t2-/m0/s1
InChIKeyODJPPJZNHKDEAZ-REOHCLBHSA-N
XLogP-2.04
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 5-2.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-1-aminopropane-1,1,2-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-diaminoethane-1,1,2-triol
CID 19983644
3-aminohexane-2,3-diol
CID 87595978
3,3,4-triaminobutan-2-ol
CID 87234105
3-amino-3-methylpentan-2-ol
CID 159077240
2-amino-2,4,5,5-tetramethylhexan-3-ol
CID 130506923
3-amino-3-(1-hydroxyethyl)hexane-2,5-diol
CID 19089791
1-amino-1-(1-hydroxyethylamino)ethanol
CID 57311294
hydroxylamine;propan-2-ol
CID 22024851
3,4,4-trimethylhexane-2,3-diol
CID 67159588
methanol;2-methylpropan-2-ol;bis(propan-2-ol)
CID 173031794
2-aminopropane-1,1,2,3,3-pentol
CID 175213904
(3R)-2-amino-3,4,4-trimethylpentan-2-ol
CID 139473324

Frequently Asked Questions

What is the IUPAC name of (2S)-1-aminopropane-1,1,2-triol?
The IUPAC name of (2S)-1-aminopropane-1,1,2-triol (CID 25141054) is (2S)-1-aminopropane-1,1,2-triol.
What is the SMILES notation for (2S)-1-aminopropane-1,1,2-triol?
The canonical SMILES for (2S)-1-aminopropane-1,1,2-triol is C[C@H](O)C(N)(O)O.
What is the InChIKey of (2S)-1-aminopropane-1,1,2-triol?
The InChIKey is ODJPPJZNHKDEAZ-REOHCLBHSA-N. The full InChI is InChI=1S/C3H9NO3/c1-2(5)3(4,6)7/h2,5-7H,4H2,1H3/t2-/m0/s1.
What are the key properties of (2S)-1-aminopropane-1,1,2-triol?
(2S)-1-aminopropane-1,1,2-triol has a molecular weight of 107.11 g/mol, XLogP of -2.04, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-aminopropane-1,1,2-triol is sourced from PubChem (CID 25141054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).