[[(2R)-2-methylpyrrolidine-1-carbonyl]amino]methylphosphonic acid

C7H15N2O4P — CID 91301780

IUPAC[[(2R)-2-methylpyrrolidine-1-carbonyl]amino]methylphosphonic acid
SMILESC[C@@H]1CCCN1C(=O)NCP(=O)(O)O
InChIInChI=1S/C7H15N2O4P/c1-6-3-2-4-9(6)7(10)8-5-14(11,12)13/h6H,2-5H2,1H3,(H,8,10)(H2,11,12,13)/t6-/m1/s1
InChIKeyZYJUUMVZCQVZJN-ZCFIWIBFSA-N
MW222.18 g/mol
LogP0.32
Rot. Bonds2

About [[(2R)-2-methylpyrrolidine-1-carbonyl]amino]methylphosphonic acid

[[(2R)-2-methylpyrrolidine-1-carbonyl]amino]methylphosphonic acid (PubChem CID 91301780) has the molecular formula C7H15N2O4P and a molecular weight of 222.18 g/mol. Its IUPAC name is [[(2R)-2-methylpyrrolidine-1-carbonyl]amino]methylphosphonic acid.

Molecular Properties

Compound Name[[(2R)-2-methylpyrrolidine-1-carbonyl]amino]methylphosphonic acid
PubChem CID91301780
Molecular FormulaC7H15N2O4P
Molecular Weight222.18 g/mol
Exact Mass222.08
IUPAC Name[[(2R)-2-methylpyrrolidine-1-carbonyl]amino]methylphosphonic acid
SMILESC[C@@H]1CCCN1C(=O)NCP(=O)(O)O
InChIInChI=1S/C7H15N2O4P/c1-6-3-2-4-9(6)7(10)8-5-14(11,12)13/h6H,2-5H2,1H3,(H,8,10)(H2,11,12,13)/t6-/m1/s1
InChIKeyZYJUUMVZCQVZJN-ZCFIWIBFSA-N
XLogP0.32
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(4-Methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid
CID 54397866

Frequently Asked Questions

What is the IUPAC name of [[(2R)-2-methylpyrrolidine-1-carbonyl]amino]methylphosphonic acid?
The IUPAC name of [[(2R)-2-methylpyrrolidine-1-carbonyl]amino]methylphosphonic acid (CID 91301780) is [[(2R)-2-methylpyrrolidine-1-carbonyl]amino]methylphosphonic acid.
What is the SMILES notation for [[(2R)-2-methylpyrrolidine-1-carbonyl]amino]methylphosphonic acid?
The canonical SMILES for [[(2R)-2-methylpyrrolidine-1-carbonyl]amino]methylphosphonic acid is C[C@@H]1CCCN1C(=O)NCP(=O)(O)O.
What is the InChIKey of [[(2R)-2-methylpyrrolidine-1-carbonyl]amino]methylphosphonic acid?
The InChIKey is ZYJUUMVZCQVZJN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15N2O4P/c1-6-3-2-4-9(6)7(10)8-5-14(11,12)13/h6H,2-5H2,1H3,(H,8,10)(H2,11,12,13)/t6-/m1/s1.
What are the key properties of [[(2R)-2-methylpyrrolidine-1-carbonyl]amino]methylphosphonic acid?
[[(2R)-2-methylpyrrolidine-1-carbonyl]amino]methylphosphonic acid has a molecular weight of 222.18 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R)-2-methylpyrrolidine-1-carbonyl]amino]methylphosphonic acid is sourced from PubChem (CID 91301780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).