[1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid

C7H15N2O4P — CID 18699593

IUPAC[1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid
SMILESCC(N)C(=O)N1CCCC1P(=O)(O)O
InChIInChI=1S/C7H15N2O4P/c1-5(8)7(10)9-4-2-3-6(9)14(11,12)13/h5-6H,2-4,8H2,1H3,(H2,11,12,13)
InChIKeyQFHRCQQBMCSLDS-UHFFFAOYSA-N
MW222.18 g/mol
LogP-0.54
Rot. Bonds2

About [1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid

[1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid (PubChem CID 18699593) has the molecular formula C7H15N2O4P and a molecular weight of 222.18 g/mol. Its IUPAC name is [1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid.

Molecular Properties

Compound Name[1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid
PubChem CID18699593
Molecular FormulaC7H15N2O4P
Molecular Weight222.18 g/mol
Exact Mass222.08
IUPAC Name[1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid
SMILESCC(N)C(=O)N1CCCC1P(=O)(O)O
InChIInChI=1S/C7H15N2O4P/c1-5(8)7(10)9-4-2-3-6(9)14(11,12)13/h5-6H,2-4,8H2,1H3,(H2,11,12,13)
InChIKeyQFHRCQQBMCSLDS-UHFFFAOYSA-N
XLogP-0.54
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
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 [1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid?
The IUPAC name of [1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid (CID 18699593) is [1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid.
What is the SMILES notation for [1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid?
The canonical SMILES for [1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid is CC(N)C(=O)N1CCCC1P(=O)(O)O.
What is the InChIKey of [1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid?
The InChIKey is QFHRCQQBMCSLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O4P/c1-5(8)7(10)9-4-2-3-6(9)14(11,12)13/h5-6H,2-4,8H2,1H3,(H2,11,12,13).
What are the key properties of [1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid?
[1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid has a molecular weight of 222.18 g/mol, XLogP of -0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid is sourced from PubChem (CID 18699593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).