2-amino-3-[(1S,2S)-2-methylcyclopropyl]oxypropan-1-ol

C7H15NO2 — CID 167184807

IUPAC2-amino-3-[(1S,2S)-2-methylcyclopropyl]oxypropan-1-ol
SMILESC[C@H]1C[C@@H]1OCC(N)CO
InChIInChI=1S/C7H15NO2/c1-5-2-7(5)10-4-6(8)3-9/h5-7,9H,2-4,8H2,1H3/t5-,6?,7-/m0/s1
InChIKeyCXNCGVCMOPUHPX-LOJRBXKRSA-N
MW145.20 g/mol
LogP-0.27
Rot. Bonds4

About 2-amino-3-[(1S,2S)-2-methylcyclopropyl]oxypropan-1-ol

2-amino-3-[(1S,2S)-2-methylcyclopropyl]oxypropan-1-ol (PubChem CID 167184807) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-amino-3-[(1S,2S)-2-methylcyclopropyl]oxypropan-1-ol.

Molecular Properties

Compound Name2-amino-3-[(1S,2S)-2-methylcyclopropyl]oxypropan-1-ol
PubChem CID167184807
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-amino-3-[(1S,2S)-2-methylcyclopropyl]oxypropan-1-ol
SMILESC[C@H]1C[C@@H]1OCC(N)CO
InChIInChI=1S/C7H15NO2/c1-5-2-7(5)10-4-6(8)3-9/h5-7,9H,2-4,8H2,1H3/t5-,6?,7-/m0/s1
InChIKeyCXNCGVCMOPUHPX-LOJRBXKRSA-N
XLogP-0.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1S,2S)-2-methylcyclopropyl]oxypropan-1-ol?
The IUPAC name of 2-amino-3-[(1S,2S)-2-methylcyclopropyl]oxypropan-1-ol (CID 167184807) is 2-amino-3-[(1S,2S)-2-methylcyclopropyl]oxypropan-1-ol.
What is the SMILES notation for 2-amino-3-[(1S,2S)-2-methylcyclopropyl]oxypropan-1-ol?
The canonical SMILES for 2-amino-3-[(1S,2S)-2-methylcyclopropyl]oxypropan-1-ol is C[C@H]1C[C@@H]1OCC(N)CO.
What is the InChIKey of 2-amino-3-[(1S,2S)-2-methylcyclopropyl]oxypropan-1-ol?
The InChIKey is CXNCGVCMOPUHPX-LOJRBXKRSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5-2-7(5)10-4-6(8)3-9/h5-7,9H,2-4,8H2,1H3/t5-,6?,7-/m0/s1.
What are the key properties of 2-amino-3-[(1S,2S)-2-methylcyclopropyl]oxypropan-1-ol?
2-amino-3-[(1S,2S)-2-methylcyclopropyl]oxypropan-1-ol has a molecular weight of 145.20 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1S,2S)-2-methylcyclopropyl]oxypropan-1-ol is sourced from PubChem (CID 167184807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).