(2S)-2-amino-2-cyclopropylethanol

C5H11NO — CID 55283785

IUPAC(2S)-2-amino-2-cyclopropylethanol
SMILESN[C@H](CO)C1CC1
InChIInChI=1S/C5H11NO/c6-5(3-7)4-1-2-4/h4-5,7H,1-3,6H2/t5-/m1/s1
InChIKeyLLCCGHDKJXAQLS-RXMQYKEDSA-N
MW101.15 g/mol
LogP-0.28
Rot. Bonds2

About (2S)-2-amino-2-cyclopropylethanol

(2S)-2-amino-2-cyclopropylethanol (PubChem CID 55283785) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclopropylethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclopropylethanol
PubChem CID55283785
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(2S)-2-amino-2-cyclopropylethanol
SMILESN[C@H](CO)C1CC1
InChIInChI=1S/C5H11NO/c6-5(3-7)4-1-2-4/h4-5,7H,1-3,6H2/t5-/m1/s1
InChIKeyLLCCGHDKJXAQLS-RXMQYKEDSA-N
XLogP-0.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclopropylethanol?
The IUPAC name of (2S)-2-amino-2-cyclopropylethanol (CID 55283785) is (2S)-2-amino-2-cyclopropylethanol.
What is the SMILES notation for (2S)-2-amino-2-cyclopropylethanol?
The canonical SMILES for (2S)-2-amino-2-cyclopropylethanol is N[C@H](CO)C1CC1.
What is the InChIKey of (2S)-2-amino-2-cyclopropylethanol?
The InChIKey is LLCCGHDKJXAQLS-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11NO/c6-5(3-7)4-1-2-4/h4-5,7H,1-3,6H2/t5-/m1/s1.
What are the key properties of (2S)-2-amino-2-cyclopropylethanol?
(2S)-2-amino-2-cyclopropylethanol has a molecular weight of 101.15 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclopropylethanol is sourced from PubChem (CID 55283785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).