[(2S)-1-hydroxypropan-2-yl]azanium

C3H10NO+ — CID 6992590

IUPAC[(2S)-1-hydroxypropan-2-yl]azanium
SMILESC[C@H]([NH3+])CO
InChIInChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/p+1/t3-/m0/s1
InChIKeyBKMMTJMQCTUHRP-VKHMYHEASA-O
MW76.12 g/mol
LogP-1.39
Rot. Bonds1

About [(2S)-1-hydroxypropan-2-yl]azanium

[(2S)-1-hydroxypropan-2-yl]azanium (PubChem CID 6992590) has the molecular formula C3H10NO+ and a molecular weight of 76.12 g/mol. Its IUPAC name is [(2S)-1-hydroxypropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-hydroxypropan-2-yl]azanium
PubChem CID6992590
Molecular FormulaC3H10NO+
Molecular Weight76.12 g/mol
Exact Mass76.08
IUPAC Name[(2S)-1-hydroxypropan-2-yl]azanium
SMILESC[C@H]([NH3+])CO
InChIInChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/p+1/t3-/m0/s1
InChIKeyBKMMTJMQCTUHRP-VKHMYHEASA-O
XLogP-1.39
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.12
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Serinol
CID 68294
L-Alaninol
CID 80307
(R)-(-)-2-Amino-1-propanol
CID 80308
2-Aminopropanol
CID 5126
2-Amino-1-butanol
CID 22129
L-Valinol
CID 640993
2-Amino-1-butanol, (-)-
CID 2723856
3-Aminobutan-2-ol
CID 226831
2-Amino-1-pentanol
CID 249017
2-Amino-1-butanol, (+)-
CID 120084
3-Aminobutan-1-ol
CID 12202791
Valinol
CID 79019

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydroxypropan-2-yl]azanium?
The IUPAC name of [(2S)-1-hydroxypropan-2-yl]azanium (CID 6992590) is [(2S)-1-hydroxypropan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-hydroxypropan-2-yl]azanium?
The canonical SMILES for [(2S)-1-hydroxypropan-2-yl]azanium is C[C@H]([NH3+])CO.
What is the InChIKey of [(2S)-1-hydroxypropan-2-yl]azanium?
The InChIKey is BKMMTJMQCTUHRP-VKHMYHEASA-O. The full InChI is InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/p+1/t3-/m0/s1.
What are the key properties of [(2S)-1-hydroxypropan-2-yl]azanium?
[(2S)-1-hydroxypropan-2-yl]azanium has a molecular weight of 76.12 g/mol, XLogP of -1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-hydroxypropan-2-yl]azanium is sourced from PubChem (CID 6992590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).