2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethylphosphonic acid

C7H15N2O4P — CID 92968494

IUPAC2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethylphosphonic acid
SMILESO=C(NCCP(=O)(O)O)[C@H]1CCCN1
InChIInChI=1S/C7H15N2O4P/c10-7(6-2-1-3-8-6)9-4-5-14(11,12)13/h6,8H,1-5H2,(H,9,10)(H2,11,12,13)/t6-/m1/s1
InChIKeyUJWQUEQBTYLGCG-ZCFIWIBFSA-N
MW222.18 g/mol
LogP-0.97
Rot. Bonds4

About 2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethylphosphonic acid

2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethylphosphonic acid (PubChem CID 92968494) has the molecular formula C7H15N2O4P and a molecular weight of 222.18 g/mol. Its IUPAC name is 2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethylphosphonic acid.

Molecular Properties

Compound Name2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethylphosphonic acid
PubChem CID92968494
Molecular FormulaC7H15N2O4P
Molecular Weight222.18 g/mol
Exact Mass222.08
IUPAC Name2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethylphosphonic acid
SMILESO=C(NCCP(=O)(O)O)[C@H]1CCCN1
InChIInChI=1S/C7H15N2O4P/c10-7(6-2-1-3-8-6)9-4-5-14(11,12)13/h6,8H,1-5H2,(H,9,10)(H2,11,12,13)/t6-/m1/s1
InChIKeyUJWQUEQBTYLGCG-ZCFIWIBFSA-N
XLogP-0.97
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propylpyrrolidine-2-carboxamide
CID 4984185
(2S)-N-[2-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyldisulfanyl]ethyl]pyrrolidine-2-carboxamide
CID 11725207
(2R)-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 103795515
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
CID 61249248
2-[[(2S)-pyrrolidine-2-carbonyl]amino]ethanesulfonic acid
CID 15929426
N-(fluoromethyl)pyrrolidine-2-carboxamide
CID 123273673
(2S)-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 61154018
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
3-(piperidine-2-carbonylamino)propanoic acid
CID 61157644
N-(2-ethoxyethyl)pyrrolidine-2-carboxamide
CID 43591374
3-[[(2S)-pyrrolidine-2-carbonyl]amino]propane-1-sulfonic acid
CID 25008297

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethylphosphonic acid?
The IUPAC name of 2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethylphosphonic acid (CID 92968494) is 2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethylphosphonic acid.
What is the SMILES notation for 2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethylphosphonic acid?
The canonical SMILES for 2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethylphosphonic acid is O=C(NCCP(=O)(O)O)[C@H]1CCCN1.
What is the InChIKey of 2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethylphosphonic acid?
The InChIKey is UJWQUEQBTYLGCG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15N2O4P/c10-7(6-2-1-3-8-6)9-4-5-14(11,12)13/h6,8H,1-5H2,(H,9,10)(H2,11,12,13)/t6-/m1/s1.
What are the key properties of 2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethylphosphonic acid?
2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethylphosphonic acid has a molecular weight of 222.18 g/mol, XLogP of -0.97, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethylphosphonic acid is sourced from PubChem (CID 92968494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).