(2S)-1-aminopropan-2-ol

C3H9NO — CID 7311736

IUPAC(2S)-1-aminopropan-2-ol
SMILESC[C@H](O)CN
InChIInChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m0/s1
InChIKeyHXKKHQJGJAFBHI-VKHMYHEASA-N
MW75.11 g/mol
LogP-0.67
Rot. Bonds1

About (2S)-1-aminopropan-2-ol

(2S)-1-aminopropan-2-ol (PubChem CID 7311736) has the molecular formula C3H9NO and a molecular weight of 75.11 g/mol. Its IUPAC name is (2S)-1-aminopropan-2-ol.

Molecular Properties

Compound Name(2S)-1-aminopropan-2-ol
PubChem CID7311736
Molecular FormulaC3H9NO
Molecular Weight75.11 g/mol
Exact Mass75.07
IUPAC Name(2S)-1-aminopropan-2-ol
SMILESC[C@H](O)CN
InChIInChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m0/s1
InChIKeyHXKKHQJGJAFBHI-VKHMYHEASA-N
XLogP-0.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.11
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-aminopropan-2-ol?
The IUPAC name of (2S)-1-aminopropan-2-ol (CID 7311736) is (2S)-1-aminopropan-2-ol.
What is the SMILES notation for (2S)-1-aminopropan-2-ol?
The canonical SMILES for (2S)-1-aminopropan-2-ol is C[C@H](O)CN.
What is the InChIKey of (2S)-1-aminopropan-2-ol?
The InChIKey is HXKKHQJGJAFBHI-VKHMYHEASA-N. The full InChI is InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m0/s1.
What are the key properties of (2S)-1-aminopropan-2-ol?
(2S)-1-aminopropan-2-ol has a molecular weight of 75.11 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-aminopropan-2-ol is sourced from PubChem (CID 7311736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).