[(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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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).