[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]phosphonous acid

C7H15N2O3P — CID 22811650

IUPAC[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]phosphonous acid
SMILESC[C@H](N)C(=O)N1CCCC1P(O)O
InChIInChI=1S/C7H15N2O3P/c1-5(8)7(10)9-4-2-3-6(9)13(11)12/h5-6,11-12H,2-4,8H2,1H3/t5-,6?/m0/s1
InChIKeyCGAIIAWDUWSBKR-ZBHICJROSA-N
MW206.18 g/mol
LogP-0.42
Rot. Bonds2

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

[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]phosphonous acid (PubChem CID 22811650) has the molecular formula C7H15N2O3P and a molecular weight of 206.18 g/mol. Its IUPAC name is [1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]phosphonous acid.

Molecular Properties

Compound Name[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]phosphonous acid
PubChem CID22811650
Molecular FormulaC7H15N2O3P
Molecular Weight206.18 g/mol
Exact Mass206.08
IUPAC Name[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]phosphonous acid
SMILESC[C@H](N)C(=O)N1CCCC1P(O)O
InChIInChI=1S/C7H15N2O3P/c1-5(8)7(10)9-4-2-3-6(9)13(11)12/h5-6,11-12H,2-4,8H2,1H3/t5-,6?/m0/s1
InChIKeyCGAIIAWDUWSBKR-ZBHICJROSA-N
XLogP-0.42
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]phosphonous acid?
The IUPAC name of [1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]phosphonous acid (CID 22811650) is [1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]phosphonous acid.
What is the SMILES notation for [1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]phosphonous acid?
The canonical SMILES for [1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]phosphonous acid is C[C@H](N)C(=O)N1CCCC1P(O)O.
What is the InChIKey of [1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]phosphonous acid?
The InChIKey is CGAIIAWDUWSBKR-ZBHICJROSA-N. The full InChI is InChI=1S/C7H15N2O3P/c1-5(8)7(10)9-4-2-3-6(9)13(11)12/h5-6,11-12H,2-4,8H2,1H3/t5-,6?/m0/s1.
What are the key properties of [1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]phosphonous acid?
[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]phosphonous acid has a molecular weight of 206.18 g/mol, XLogP of -0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]phosphonous acid is sourced from PubChem (CID 22811650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).