[(2-phosphorosoacetyl)amino] (2S)-pyrrolidine-2-carboxylate

C7H11N2O4P — CID 91148512

IUPAC[(2-phosphorosoacetyl)amino] (2S)-pyrrolidine-2-carboxylate
SMILESO=PCC(=O)NOC(=O)[C@@H]1CCCN1
InChIInChI=1S/C7H11N2O4P/c10-6(4-14-12)9-13-7(11)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,10)/t5-/m0/s1
InChIKeyLKWPMOHTKDPOBL-YFKPBYRVSA-N
MW218.15 g/mol
LogP-0.40
Rot. Bonds3

About [(2-phosphorosoacetyl)amino] (2S)-pyrrolidine-2-carboxylate

[(2-phosphorosoacetyl)amino] (2S)-pyrrolidine-2-carboxylate (PubChem CID 91148512) has the molecular formula C7H11N2O4P and a molecular weight of 218.15 g/mol. Its IUPAC name is [(2-phosphorosoacetyl)amino] (2S)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[(2-phosphorosoacetyl)amino] (2S)-pyrrolidine-2-carboxylate
PubChem CID91148512
Molecular FormulaC7H11N2O4P
Molecular Weight218.15 g/mol
Exact Mass218.05
IUPAC Name[(2-phosphorosoacetyl)amino] (2S)-pyrrolidine-2-carboxylate
SMILESO=PCC(=O)NOC(=O)[C@@H]1CCCN1
InChIInChI=1S/C7H11N2O4P/c10-6(4-14-12)9-13-7(11)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,10)/t5-/m0/s1
InChIKeyLKWPMOHTKDPOBL-YFKPBYRVSA-N
XLogP-0.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-oxobutanoylamino) pyrrolidine-2-carboxylate
CID 172627054
(2-carbamoylhydrazinyl) (2S)-pyrrolidine-2-carboxylate
CID 57173550
[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
CID 57156307
chloromethyl pyrrolidine-2-carboxylate
CID 68787302
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138
[(2R)-pyrrolidin-2-yl] (2R)-pyrrolidine-2-carboxylate
CID 162533154
ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
2-cyclopropylethyl (2R)-pyrrolidine-2-carboxylate
CID 106202472
2-cyclopropylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202565
aminomethyl piperidine-2-carboxylate
CID 152636457
2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202899
CID 123220286
CID 123220286

Frequently Asked Questions

What is the IUPAC name of [(2-phosphorosoacetyl)amino] (2S)-pyrrolidine-2-carboxylate?
The IUPAC name of [(2-phosphorosoacetyl)amino] (2S)-pyrrolidine-2-carboxylate (CID 91148512) is [(2-phosphorosoacetyl)amino] (2S)-pyrrolidine-2-carboxylate.
What is the SMILES notation for [(2-phosphorosoacetyl)amino] (2S)-pyrrolidine-2-carboxylate?
The canonical SMILES for [(2-phosphorosoacetyl)amino] (2S)-pyrrolidine-2-carboxylate is O=PCC(=O)NOC(=O)[C@@H]1CCCN1.
What is the InChIKey of [(2-phosphorosoacetyl)amino] (2S)-pyrrolidine-2-carboxylate?
The InChIKey is LKWPMOHTKDPOBL-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11N2O4P/c10-6(4-14-12)9-13-7(11)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,10)/t5-/m0/s1.
What are the key properties of [(2-phosphorosoacetyl)amino] (2S)-pyrrolidine-2-carboxylate?
[(2-phosphorosoacetyl)amino] (2S)-pyrrolidine-2-carboxylate has a molecular weight of 218.15 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-phosphorosoacetyl)amino] (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 91148512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).