[(1R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl]phosphonic acid

C7H15N2O4P — CID 54206137

IUPAC[(1R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl]phosphonic acid
SMILESC[C@H](NC(=O)[C@@H]1CCCN1)P(=O)(O)O
InChIInChI=1S/C7H15N2O4P/c1-5(14(11,12)13)9-7(10)6-3-2-4-8-6/h5-6,8H,2-4H2,1H3,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1
InChIKeyPSPICQJNTWTCOX-RITPCOANSA-N
MW222.18 g/mol
LogP-0.62
Rot. Bonds3

About [(1R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl]phosphonic acid

[(1R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl]phosphonic acid (PubChem CID 54206137) has the molecular formula C7H15N2O4P and a molecular weight of 222.18 g/mol. Its IUPAC name is [(1R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl]phosphonic acid.

Molecular Properties

Compound Name[(1R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl]phosphonic acid
PubChem CID54206137
Molecular FormulaC7H15N2O4P
Molecular Weight222.18 g/mol
Exact Mass222.08
IUPAC Name[(1R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl]phosphonic acid
SMILESC[C@H](NC(=O)[C@@H]1CCCN1)P(=O)(O)O
InChIInChI=1S/C7H15N2O4P/c1-5(14(11,12)13)9-7(10)6-3-2-4-8-6/h5-6,8H,2-4H2,1H3,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1
InChIKeyPSPICQJNTWTCOX-RITPCOANSA-N
XLogP-0.62
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl]phosphonic acid?
The IUPAC name of [(1R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl]phosphonic acid (CID 54206137) is [(1R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl]phosphonic acid.
What is the SMILES notation for [(1R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl]phosphonic acid?
The canonical SMILES for [(1R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl]phosphonic acid is C[C@H](NC(=O)[C@@H]1CCCN1)P(=O)(O)O.
What is the InChIKey of [(1R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl]phosphonic acid?
The InChIKey is PSPICQJNTWTCOX-RITPCOANSA-N. The full InChI is InChI=1S/C7H15N2O4P/c1-5(14(11,12)13)9-7(10)6-3-2-4-8-6/h5-6,8H,2-4H2,1H3,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1.
What are the key properties of [(1R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl]phosphonic acid?
[(1R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl]phosphonic acid has a molecular weight of 222.18 g/mol, XLogP of -0.62, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyl]phosphonic acid is sourced from PubChem (CID 54206137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).