2-(aminomethyl)propane-1,3-diol;hydrochloride

C4H12ClNO2 — CID 71757794

IUPAC2-(aminomethyl)propane-1,3-diol;hydrochloride
SMILESCl.NCC(CO)CO
InChIInChI=1S/C4H11NO2.ClH/c5-1-4(2-6)3-7;/h4,6-7H,1-3,5H2;1H
InChIKeyYJJPPSTZJUVIKP-UHFFFAOYSA-N
MW141.60 g/mol
LogP-1.03
Rot. Bonds3

About 2-(aminomethyl)propane-1,3-diol;hydrochloride

2-(aminomethyl)propane-1,3-diol;hydrochloride (PubChem CID 71757794) has the molecular formula C4H12ClNO2 and a molecular weight of 141.60 g/mol. Its IUPAC name is 2-(aminomethyl)propane-1,3-diol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)propane-1,3-diol;hydrochloride
PubChem CID71757794
Molecular FormulaC4H12ClNO2
Molecular Weight141.60 g/mol
Exact Mass141.06
IUPAC Name2-(aminomethyl)propane-1,3-diol;hydrochloride
SMILESCl.NCC(CO)CO
InChIInChI=1S/C4H11NO2.ClH/c5-1-4(2-6)3-7;/h4,6-7H,1-3,5H2;1H
InChIKeyYJJPPSTZJUVIKP-UHFFFAOYSA-N
XLogP-1.03
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.60
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)propane-1,3-diol;hydrochloride?
The IUPAC name of 2-(aminomethyl)propane-1,3-diol;hydrochloride (CID 71757794) is 2-(aminomethyl)propane-1,3-diol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)propane-1,3-diol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)propane-1,3-diol;hydrochloride is Cl.NCC(CO)CO.
What is the InChIKey of 2-(aminomethyl)propane-1,3-diol;hydrochloride?
The InChIKey is YJJPPSTZJUVIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.ClH/c5-1-4(2-6)3-7;/h4,6-7H,1-3,5H2;1H.
What are the key properties of 2-(aminomethyl)propane-1,3-diol;hydrochloride?
2-(aminomethyl)propane-1,3-diol;hydrochloride has a molecular weight of 141.60 g/mol, XLogP of -1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)propane-1,3-diol;hydrochloride is sourced from PubChem (CID 71757794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).