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

C4H11NO2 — CID 10176108

IUPAC2-(aminomethyl)propane-1,3-diol
SMILESNCC(CO)CO
InChIInChI=1S/C4H11NO2/c5-1-4(2-6)3-7/h4,6-7H,1-3,5H2
InChIKeyIDUWIXCWGYJVKL-UHFFFAOYSA-N
MW105.14 g/mol
LogP-1.45
Rot. Bonds3

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

2-(aminomethyl)propane-1,3-diol (PubChem CID 10176108) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is 2-(aminomethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(aminomethyl)propane-1,3-diol
PubChem CID10176108
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Name2-(aminomethyl)propane-1,3-diol
SMILESNCC(CO)CO
InChIInChI=1S/C4H11NO2/c5-1-4(2-6)3-7/h4,6-7H,1-3,5H2
InChIKeyIDUWIXCWGYJVKL-UHFFFAOYSA-N
XLogP-1.45
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-2-methyl-1-propanol
CID 10197625
2-(Aminomethyl)-2-(hydroxymethyl)-1,3-propanediol
CID 11355505
2-(Aminomethyl)-2-methylpropane-1,3-diol
CID 20558493
(2S)-3-amino-2-methylpropan-1-ol
CID 640990
(2R)-3-amino-2-methylpropan-1-ol
CID 13906733
2-(2-Aminoethyl)propane-1,3-diol
CID 23009866
3-Amino-2-methyl-propan-1-ol hydrochloride
CID 42614513
2-(Aminomethyl)propane-1,3-diol hydrochloride
CID 71757794
3-Amino-2-(methoxymethyl)propan-1-ol
CID 117273617
(2R)-3-amino-2-methylpropan-1-ol hydrochloride
CID 146405865
1-Amino-2,2-bis(hydroxymethyl)-1,3-propanediol
CID 57349308
2,2-Bis(aminomethyl)propane-1,3-diol
CID 60506

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)propane-1,3-diol?
The IUPAC name of 2-(aminomethyl)propane-1,3-diol (CID 10176108) is 2-(aminomethyl)propane-1,3-diol.
What is the SMILES notation for 2-(aminomethyl)propane-1,3-diol?
The canonical SMILES for 2-(aminomethyl)propane-1,3-diol is NCC(CO)CO.
What is the InChIKey of 2-(aminomethyl)propane-1,3-diol?
The InChIKey is IDUWIXCWGYJVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2/c5-1-4(2-6)3-7/h4,6-7H,1-3,5H2.
What are the key properties of 2-(aminomethyl)propane-1,3-diol?
2-(aminomethyl)propane-1,3-diol has a molecular weight of 105.14 g/mol, XLogP of -1.45, 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 is sourced from PubChem (CID 10176108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).