[(1R,3S)-3-amino-1-hydroxy-3-(3-methylcyclobutyl)propyl] dihydrogen phosphite

C8H18NO4P — CID 70850531

IUPAC[(1R,3S)-3-amino-1-hydroxy-3-(3-methylcyclobutyl)propyl] dihydrogen phosphite
SMILESCC1CC([C@@H](N)C[C@H](O)OP(O)O)C1
InChIInChI=1S/C8H18NO4P/c1-5-2-6(3-5)7(9)4-8(10)13-14(11)12/h5-8,10-12H,2-4,9H2,1H3/t5?,6?,7-,8+/m0/s1
InChIKeyZQRWUXKUUFDKBF-RLXKETGRSA-N
MW223.21 g/mol
LogP0.30
Rot. Bonds5

About [(1R,3S)-3-amino-1-hydroxy-3-(3-methylcyclobutyl)propyl] dihydrogen phosphite

[(1R,3S)-3-amino-1-hydroxy-3-(3-methylcyclobutyl)propyl] dihydrogen phosphite (PubChem CID 70850531) has the molecular formula C8H18NO4P and a molecular weight of 223.21 g/mol. Its IUPAC name is [(1R,3S)-3-amino-1-hydroxy-3-(3-methylcyclobutyl)propyl] dihydrogen phosphite.

Molecular Properties

Compound Name[(1R,3S)-3-amino-1-hydroxy-3-(3-methylcyclobutyl)propyl] dihydrogen phosphite
PubChem CID70850531
Molecular FormulaC8H18NO4P
Molecular Weight223.21 g/mol
Exact Mass223.10
IUPAC Name[(1R,3S)-3-amino-1-hydroxy-3-(3-methylcyclobutyl)propyl] dihydrogen phosphite
SMILESCC1CC([C@@H](N)C[C@H](O)OP(O)O)C1
InChIInChI=1S/C8H18NO4P/c1-5-2-6(3-5)7(9)4-8(10)13-14(11)12/h5-8,10-12H,2-4,9H2,1H3/t5?,6?,7-,8+/m0/s1
InChIKeyZQRWUXKUUFDKBF-RLXKETGRSA-N
XLogP0.30
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-amino-1-hydroxy-3-(3-methylcyclobutyl)propyl] dihydrogen phosphite?
The IUPAC name of [(1R,3S)-3-amino-1-hydroxy-3-(3-methylcyclobutyl)propyl] dihydrogen phosphite (CID 70850531) is [(1R,3S)-3-amino-1-hydroxy-3-(3-methylcyclobutyl)propyl] dihydrogen phosphite.
What is the SMILES notation for [(1R,3S)-3-amino-1-hydroxy-3-(3-methylcyclobutyl)propyl] dihydrogen phosphite?
The canonical SMILES for [(1R,3S)-3-amino-1-hydroxy-3-(3-methylcyclobutyl)propyl] dihydrogen phosphite is CC1CC([C@@H](N)C[C@H](O)OP(O)O)C1.
What is the InChIKey of [(1R,3S)-3-amino-1-hydroxy-3-(3-methylcyclobutyl)propyl] dihydrogen phosphite?
The InChIKey is ZQRWUXKUUFDKBF-RLXKETGRSA-N. The full InChI is InChI=1S/C8H18NO4P/c1-5-2-6(3-5)7(9)4-8(10)13-14(11)12/h5-8,10-12H,2-4,9H2,1H3/t5?,6?,7-,8+/m0/s1.
What are the key properties of [(1R,3S)-3-amino-1-hydroxy-3-(3-methylcyclobutyl)propyl] dihydrogen phosphite?
[(1R,3S)-3-amino-1-hydroxy-3-(3-methylcyclobutyl)propyl] dihydrogen phosphite has a molecular weight of 223.21 g/mol, XLogP of 0.30, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-amino-1-hydroxy-3-(3-methylcyclobutyl)propyl] dihydrogen phosphite is sourced from PubChem (CID 70850531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).