[(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol

C5H11NO — CID 131846797

IUPAC[(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol
SMILESC[C@@H]1[C@@H](N)[C@H]1CO
InChIInChI=1S/C5H11NO/c1-3-4(2-7)5(3)6/h3-5,7H,2,6H2,1H3/t3-,4-,5+/m0/s1
InChIKeyAXHXZUPZAKMKRX-VAYJURFESA-N
MW101.15 g/mol
LogP-0.43
Rot. Bonds1

About [(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol

[(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol (PubChem CID 131846797) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is [(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol
PubChem CID131846797
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name[(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol
SMILESC[C@@H]1[C@@H](N)[C@H]1CO
InChIInChI=1S/C5H11NO/c1-3-4(2-7)5(3)6/h3-5,7H,2,6H2,1H3/t3-,4-,5+/m0/s1
InChIKeyAXHXZUPZAKMKRX-VAYJURFESA-N
XLogP-0.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol
CID 143572828
cis-(2R,3S)-2-methyl-3-propylcyclopropan-1-amine
CID 163640709
3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol
CID 123934706
(1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 162423103
(2R,3R,4R,5S)-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-diol
CID 54370986
[(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol
CID 18389676
(3S,4R,6R)-6-[[(3S,4S,6R)-5-amino-2,6-bis(hydroxymethyl)-4-methyloxan-3-yl]methoxymethyl]-3-(hydroxymethyl)-4,5-dimethyloxane-2-carboxylic acid
CID 59064316
[(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol
CID 59893568
CID 58681778
CID 58681778
[(1R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol;hydrochloride
CID 55273587
[(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol
CID 176666690
(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 122537280

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol?
The IUPAC name of [(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol (CID 131846797) is [(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol.
What is the SMILES notation for [(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol?
The canonical SMILES for [(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol is C[C@@H]1[C@@H](N)[C@H]1CO.
What is the InChIKey of [(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol?
The InChIKey is AXHXZUPZAKMKRX-VAYJURFESA-N. The full InChI is InChI=1S/C5H11NO/c1-3-4(2-7)5(3)6/h3-5,7H,2,6H2,1H3/t3-,4-,5+/m0/s1.
What are the key properties of [(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol?
[(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol has a molecular weight of 101.15 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol is sourced from PubChem (CID 131846797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).