(2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid

C9H16NO4P — CID 58773470

IUPAC(2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid
SMILESCC[C@@H]1[C@@H](CCOP)C(=O)N[C@H]1C(=O)O
InChIInChI=1S/C9H16NO4P/c1-2-5-6(3-4-14-15)8(11)10-7(5)9(12)13/h5-7H,2-4,15H2,1H3,(H,10,11)(H,12,13)/t5-,6-,7-/m1/s1
InChIKeyLKKXHZDHTTWBTD-FSDSQADBSA-N
MW233.20 g/mol
LogP0.41
Rot. Bonds5

About (2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid

(2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid (PubChem CID 58773470) has the molecular formula C9H16NO4P and a molecular weight of 233.20 g/mol. Its IUPAC name is (2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid
PubChem CID58773470
Molecular FormulaC9H16NO4P
Molecular Weight233.20 g/mol
Exact Mass233.08
IUPAC Name(2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid
SMILESCC[C@@H]1[C@@H](CCOP)C(=O)N[C@H]1C(=O)O
InChIInChI=1S/C9H16NO4P/c1-2-5-6(3-4-14-15)8(11)10-7(5)9(12)13/h5-7H,2-4,15H2,1H3,(H,10,11)(H,12,13)/t5-,6-,7-/m1/s1
InChIKeyLKKXHZDHTTWBTD-FSDSQADBSA-N
XLogP0.41
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid
CID 70535367
(3S,4R)-4-acetyl-3-ethylazetidin-2-one
CID 131846194
ethyl (2R,3S)-3-ethyl-4-oxoazetidine-2-carboxylate
CID 135039952
(3S,4S)-3-ethyl-4-propylazetidin-2-one
CID 55287700
(4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid
CID 14310923
(2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid
CID 70320136
tert-butyl (2S,3S,4R)-4-(2-methylprop-2-enyl)-5-oxo-3-propylpyrrolidine-2-carboxylate
CID 25179597
(4S,5R)-5-butyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 175653837
(3R,4S)-3,4-dipropylazetidin-2-one
CID 102456687
2-oxoimidazolidine-4,5-dicarboxylic acid
CID 19082391
3-(azidomethyl)-4-oxoazetidine-2-carboxylic acid
CID 20715928
(2R,3S)-3-ethylaziridine-2-carboxylic acid
CID 55299966

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid (CID 58773470) is (2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid is CC[C@@H]1[C@@H](CCOP)C(=O)N[C@H]1C(=O)O.
What is the InChIKey of (2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LKKXHZDHTTWBTD-FSDSQADBSA-N. The full InChI is InChI=1S/C9H16NO4P/c1-2-5-6(3-4-14-15)8(11)10-7(5)9(12)13/h5-7H,2-4,15H2,1H3,(H,10,11)(H,12,13)/t5-,6-,7-/m1/s1.
What are the key properties of (2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid?
(2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 233.20 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 58773470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).