(3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine

C5H12NO3P — CID 101188020

IUPAC(3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine
SMILESC[C@H]1C[C@H](N)COP1(=O)O
InChIInChI=1S/C5H12NO3P/c1-4-2-5(6)3-9-10(4,7)8/h4-5H,2-3,6H2,1H3,(H,7,8)/t4-,5-/m0/s1
InChIKeySLPZUKGKUOUSBS-WHFBIAKZSA-N
MW165.13 g/mol
LogP0.31
Rot. Bonds

About (3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine

(3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine (PubChem CID 101188020) has the molecular formula C5H12NO3P and a molecular weight of 165.13 g/mol. Its IUPAC name is (3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine.

Molecular Properties

Compound Name(3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine
PubChem CID101188020
Molecular FormulaC5H12NO3P
Molecular Weight165.13 g/mol
Exact Mass165.06
IUPAC Name(3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine
SMILESC[C@H]1C[C@H](N)COP1(=O)O
InChIInChI=1S/C5H12NO3P/c1-4-2-5(6)3-9-10(4,7)8/h4-5H,2-3,6H2,1H3,(H,7,8)/t4-,5-/m0/s1
InChIKeySLPZUKGKUOUSBS-WHFBIAKZSA-N
XLogP0.31
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol
CID 10535473
2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid
CID 151519448
(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methyl carbonochloridate
CID 129043470
methyl (4R)-4-aminooxolane-2-carboxylate
CID 166752126
formic acid;3-methylcyclobutan-1-amine
CID 175472209
(3S,6R)-6-methyloxan-3-amine
CID 130197714
2-(4-aminooxolan-2-yl)propan-2-ol
CID 123680743
2-methyl-1,3-dioxan-5-amine
CID 20522526
1-[(2S,4S)-4-aminooxolan-2-yl]-2-methylpropan-1-ol
CID 131080750
2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide
CID 154259848
2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 20528587
2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine
CID 152756492

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine?
The IUPAC name of (3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine (CID 101188020) is (3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine.
What is the SMILES notation for (3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine?
The canonical SMILES for (3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine is C[C@H]1C[C@H](N)COP1(=O)O.
What is the InChIKey of (3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine?
The InChIKey is SLPZUKGKUOUSBS-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H12NO3P/c1-4-2-5(6)3-9-10(4,7)8/h4-5H,2-3,6H2,1H3,(H,7,8)/t4-,5-/m0/s1.
What are the key properties of (3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine?
(3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine has a molecular weight of 165.13 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-2-hydroxy-3-methyl-2-oxo-1,2λ5-oxaphosphinan-5-amine is sourced from PubChem (CID 101188020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).