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

C7H16ClN2O4P — CID 70086269

IUPAC[1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid;hydrochloride
SMILESCC(N)C(=O)N1CCCC1P(=O)(O)O.Cl
InChIInChI=1S/C7H15N2O4P.ClH/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);1H
InChIKeyDHWHYVKIJOJEOW-UHFFFAOYSA-N
MW258.64 g/mol
LogP-0.12
Rot. Bonds2

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

[1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid;hydrochloride (PubChem CID 70086269) has the molecular formula C7H16ClN2O4P and a molecular weight of 258.64 g/mol. Its IUPAC name is [1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid;hydrochloride.

Molecular Properties

Compound Name[1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid;hydrochloride
PubChem CID70086269
Molecular FormulaC7H16ClN2O4P
Molecular Weight258.64 g/mol
Exact Mass258.05
IUPAC Name[1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid;hydrochloride
SMILESCC(N)C(=O)N1CCCC1P(=O)(O)O.Cl
InChIInChI=1S/C7H15N2O4P.ClH/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);1H
InChIKeyDHWHYVKIJOJEOW-UHFFFAOYSA-N
XLogP-0.12
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.64
LogP ≤ 5-0.12
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;hydrochloride?
The IUPAC name of [1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid;hydrochloride (CID 70086269) is [1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid;hydrochloride.
What is the SMILES notation for [1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid;hydrochloride?
The canonical SMILES for [1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid;hydrochloride is CC(N)C(=O)N1CCCC1P(=O)(O)O.Cl.
What is the InChIKey of [1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid;hydrochloride?
The InChIKey is DHWHYVKIJOJEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O4P.ClH/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);1H.
What are the key properties of [1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid;hydrochloride?
[1-(2-aminopropanoyl)pyrrolidin-2-yl]phosphonic acid;hydrochloride has a molecular weight of 258.64 g/mol, XLogP of -0.12, 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;hydrochloride is sourced from PubChem (CID 70086269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).