2-aminopropane-1,3-diol;hydrochloride

C3H10ClNO2 — CID 2734815

IUPAC2-aminopropane-1,3-diol;hydrochloride
SMILESCl.NC(CO)CO
InChIInChI=1S/C3H9NO2.ClH/c4-3(1-5)2-6;/h3,5-6H,1-2,4H2;1H
InChIKeyVDGBLRKKPTUYNW-UHFFFAOYSA-N
MW127.57 g/mol
LogP-1.28
Rot. Bonds2

About 2-aminopropane-1,3-diol;hydrochloride

2-aminopropane-1,3-diol;hydrochloride (PubChem CID 2734815) has the molecular formula C3H10ClNO2 and a molecular weight of 127.57 g/mol. Its IUPAC name is 2-aminopropane-1,3-diol;hydrochloride.

Molecular Properties

Compound Name2-aminopropane-1,3-diol;hydrochloride
PubChem CID2734815
Molecular FormulaC3H10ClNO2
Molecular Weight127.57 g/mol
Exact Mass127.04
IUPAC Name2-aminopropane-1,3-diol;hydrochloride
SMILESCl.NC(CO)CO
InChIInChI=1S/C3H9NO2.ClH/c4-3(1-5)2-6;/h3,5-6H,1-2,4H2;1H
InChIKeyVDGBLRKKPTUYNW-UHFFFAOYSA-N
XLogP-1.28
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.57
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-aminopropane-1,3-diol;hydrochloride?
The IUPAC name of 2-aminopropane-1,3-diol;hydrochloride (CID 2734815) is 2-aminopropane-1,3-diol;hydrochloride.
What is the SMILES notation for 2-aminopropane-1,3-diol;hydrochloride?
The canonical SMILES for 2-aminopropane-1,3-diol;hydrochloride is Cl.NC(CO)CO.
What is the InChIKey of 2-aminopropane-1,3-diol;hydrochloride?
The InChIKey is VDGBLRKKPTUYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2.ClH/c4-3(1-5)2-6;/h3,5-6H,1-2,4H2;1H.
What are the key properties of 2-aminopropane-1,3-diol;hydrochloride?
2-aminopropane-1,3-diol;hydrochloride has a molecular weight of 127.57 g/mol, XLogP of -1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropane-1,3-diol;hydrochloride is sourced from PubChem (CID 2734815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).