[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)-oxophosphanium

C8H20N2O3P+ — CID 139526868

IUPAC[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)-oxophosphanium
SMILESCC[C@H](C)O[C@@H](CN)CO[P+](=O)NC
InChIInChI=1S/C8H20N2O3P/c1-4-7(2)13-8(5-9)6-12-14(11)10-3/h7-8H,4-6,9H2,1-3H3,(H,10,11)/q+1/t7-,8-/m0/s1
InChIKeyXANQJWZRHKNINT-YUMQZZPRSA-N
MW223.23 g/mol
LogP1.02
Rot. Bonds8

About [(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)-oxophosphanium

[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)-oxophosphanium (PubChem CID 139526868) has the molecular formula C8H20N2O3P+ and a molecular weight of 223.23 g/mol. Its IUPAC name is [(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)-oxophosphanium.

Molecular Properties

Compound Name[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)-oxophosphanium
PubChem CID139526868
Molecular FormulaC8H20N2O3P+
Molecular Weight223.23 g/mol
Exact Mass223.12
IUPAC Name[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)-oxophosphanium
SMILESCC[C@H](C)O[C@@H](CN)CO[P+](=O)NC
InChIInChI=1S/C8H20N2O3P/c1-4-7(2)13-8(5-9)6-12-14(11)10-3/h7-8H,4-6,9H2,1-3H3,(H,10,11)/q+1/t7-,8-/m0/s1
InChIKeyXANQJWZRHKNINT-YUMQZZPRSA-N
XLogP1.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-[(2S)-butan-2-yl]oxybutoxy]-(dimethylamino)-oxophosphanium
CID 167207307
amino-[[(2S,6S)-4-[[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium
CID 139526869
2,2-di(butan-2-yloxy)ethanamine;hydrobromide
CID 173067148
azane;2-butan-2-yloxybutane
CID 87187028
ethoxy-oxo-(propan-2-ylamino)phosphanium
CID 131710025
2-heptan-4-yloxypropan-1-amine
CID 88964936
2-[(2R)-3-methylbutan-2-yl]oxybutan-1-amine
CID 163640187
2-butan-2-yloxypropyl carbonochloridate
CID 21490170
2-butan-2-yloxybutane;ethanol
CID 88614162
potassium ethyl-N-isopropylphosphonamidate
CID 131710024
2-methyl-3-(methylaminooxy)propan-1-amine
CID 20681277
(2S)-2-methoxybutan-1-amine
CID 42427147

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)-oxophosphanium?
The IUPAC name of [(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)-oxophosphanium (CID 139526868) is [(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)-oxophosphanium.
What is the SMILES notation for [(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)-oxophosphanium?
The canonical SMILES for [(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)-oxophosphanium is CC[C@H](C)O[C@@H](CN)CO[P+](=O)NC.
What is the InChIKey of [(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)-oxophosphanium?
The InChIKey is XANQJWZRHKNINT-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H20N2O3P/c1-4-7(2)13-8(5-9)6-12-14(11)10-3/h7-8H,4-6,9H2,1-3H3,(H,10,11)/q+1/t7-,8-/m0/s1.
What are the key properties of [(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)-oxophosphanium?
[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)-oxophosphanium has a molecular weight of 223.23 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)-oxophosphanium is sourced from PubChem (CID 139526868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).