2-aminoheptoxy-oxo-[1-oxo-1-[(2S)-pyrrolidine-2-carbonyl]oxypropan-2-yl]oxyphosphanium

C15H28N2O6P+ — CID 88617906

IUPAC2-aminoheptoxy-oxo-[1-oxo-1-[(2S)-pyrrolidine-2-carbonyl]oxypropan-2-yl]oxyphosphanium
SMILESCCCCCC(N)CO[P+](=O)OC(C)C(=O)OC(=O)[C@@H]1CCCN1
InChIInChI=1S/C15H28N2O6P/c1-3-4-5-7-12(16)10-21-24(20)23-11(2)14(18)22-15(19)13-8-6-9-17-13/h11-13,17H,3-10,16H2,1-2H3/q+1/t11?,12?,13-/m0/s1
InChIKeyOFMBTZKIKUDJLR-BPCQOVAHSA-N
MW363.37 g/mol
LogP1.79
Rot. Bonds11

About 2-aminoheptoxy-oxo-[1-oxo-1-[(2S)-pyrrolidine-2-carbonyl]oxypropan-2-yl]oxyphosphanium

2-aminoheptoxy-oxo-[1-oxo-1-[(2S)-pyrrolidine-2-carbonyl]oxypropan-2-yl]oxyphosphanium (PubChem CID 88617906) has the molecular formula C15H28N2O6P+ and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-aminoheptoxy-oxo-[1-oxo-1-[(2S)-pyrrolidine-2-carbonyl]oxypropan-2-yl]oxyphosphanium.

Molecular Properties

Compound Name2-aminoheptoxy-oxo-[1-oxo-1-[(2S)-pyrrolidine-2-carbonyl]oxypropan-2-yl]oxyphosphanium
PubChem CID88617906
Molecular FormulaC15H28N2O6P+
Molecular Weight363.37 g/mol
Exact Mass363.17
IUPAC Name2-aminoheptoxy-oxo-[1-oxo-1-[(2S)-pyrrolidine-2-carbonyl]oxypropan-2-yl]oxyphosphanium
SMILESCCCCCC(N)CO[P+](=O)OC(C)C(=O)OC(=O)[C@@H]1CCCN1
InChIInChI=1S/C15H28N2O6P/c1-3-4-5-7-12(16)10-21-24(20)23-11(2)14(18)22-15(19)13-8-6-9-17-13/h11-13,17H,3-10,16H2,1-2H3/q+1/t11?,12?,13-/m0/s1
InChIKeyOFMBTZKIKUDJLR-BPCQOVAHSA-N
XLogP1.79
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(cyclohexanecarbonylamino)-6-(phenylmethoxycarbonylamino)hexanoyl]amino]hexoxy-oxo-[1-oxo-1-[(2S)-pyrrolidine-2-carbonyl]oxypropan-2-yl]oxyphosphanium
CID 88617888
decanoyl (2S)-pyrrolidine-2-carboxylate
CID 89052284
tetradecanoyl (2R)-pyrrolidine-2-carboxylate
CID 90102805
heptyl pyrrolidine-2-carboxylate
CID 14777077
2-methyl-1-pyrrolidin-2-yloctan-1-one
CID 170267083
tetradecan-7-yl piperidine-2-carboxylate
CID 167096260
oxo-[1-oxo-1-[(2S)-pyrrolidine-2-carbonyl]oxy-6-[(2,2,2-trifluoroacetyl)amino]hexan-2-yl]oxy-[2-(phenylmethoxycarbonylamino)hexoxy]phosphanium
CID 88617889
octyl (2R)-piperidine-2-carboxylate
CID 11096763
(8-heptadecan-9-yloxy-8-oxooctyl) pyrrolidine-2-carboxylate
CID 176905476
hexyl azocane-2-carboxylate
CID 114239843
[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
CID 57156307
1-[(2S)-pyrrolidin-2-yl]heptadecan-1-one
CID 90355847

Frequently Asked Questions

What is the IUPAC name of 2-aminoheptoxy-oxo-[1-oxo-1-[(2S)-pyrrolidine-2-carbonyl]oxypropan-2-yl]oxyphosphanium?
The IUPAC name of 2-aminoheptoxy-oxo-[1-oxo-1-[(2S)-pyrrolidine-2-carbonyl]oxypropan-2-yl]oxyphosphanium (CID 88617906) is 2-aminoheptoxy-oxo-[1-oxo-1-[(2S)-pyrrolidine-2-carbonyl]oxypropan-2-yl]oxyphosphanium.
What is the SMILES notation for 2-aminoheptoxy-oxo-[1-oxo-1-[(2S)-pyrrolidine-2-carbonyl]oxypropan-2-yl]oxyphosphanium?
The canonical SMILES for 2-aminoheptoxy-oxo-[1-oxo-1-[(2S)-pyrrolidine-2-carbonyl]oxypropan-2-yl]oxyphosphanium is CCCCCC(N)CO[P+](=O)OC(C)C(=O)OC(=O)[C@@H]1CCCN1.
What is the InChIKey of 2-aminoheptoxy-oxo-[1-oxo-1-[(2S)-pyrrolidine-2-carbonyl]oxypropan-2-yl]oxyphosphanium?
The InChIKey is OFMBTZKIKUDJLR-BPCQOVAHSA-N. The full InChI is InChI=1S/C15H28N2O6P/c1-3-4-5-7-12(16)10-21-24(20)23-11(2)14(18)22-15(19)13-8-6-9-17-13/h11-13,17H,3-10,16H2,1-2H3/q+1/t11?,12?,13-/m0/s1.
What are the key properties of 2-aminoheptoxy-oxo-[1-oxo-1-[(2S)-pyrrolidine-2-carbonyl]oxypropan-2-yl]oxyphosphanium?
2-aminoheptoxy-oxo-[1-oxo-1-[(2S)-pyrrolidine-2-carbonyl]oxypropan-2-yl]oxyphosphanium has a molecular weight of 363.37 g/mol, XLogP of 1.79, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoheptoxy-oxo-[1-oxo-1-[(2S)-pyrrolidine-2-carbonyl]oxypropan-2-yl]oxyphosphanium is sourced from PubChem (CID 88617906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).