3-amino-2-oxo-1-(3-phosphonopropyl)pyrrolidine-3-carboxylic acid

C8H15N2O6P — CID 139615845

IUPAC3-amino-2-oxo-1-(3-phosphonopropyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CCCP(=O)(O)O)C1=O
InChIInChI=1S/C8H15N2O6P/c9-8(7(12)13)2-4-10(6(8)11)3-1-5-17(14,15)16/h1-5,9H2,(H,12,13)(H2,14,15,16)
InChIKeyYNMKBFBGAKGQQR-UHFFFAOYSA-N
MW266.19 g/mol
LogP-1.43
Rot. Bonds5

About 3-amino-2-oxo-1-(3-phosphonopropyl)pyrrolidine-3-carboxylic acid

3-amino-2-oxo-1-(3-phosphonopropyl)pyrrolidine-3-carboxylic acid (PubChem CID 139615845) has the molecular formula C8H15N2O6P and a molecular weight of 266.19 g/mol. Its IUPAC name is 3-amino-2-oxo-1-(3-phosphonopropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-oxo-1-(3-phosphonopropyl)pyrrolidine-3-carboxylic acid
PubChem CID139615845
Molecular FormulaC8H15N2O6P
Molecular Weight266.19 g/mol
Exact Mass266.07
IUPAC Name3-amino-2-oxo-1-(3-phosphonopropyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CCCP(=O)(O)O)C1=O
InChIInChI=1S/C8H15N2O6P/c9-8(7(12)13)2-4-10(6(8)11)3-1-5-17(14,15)16/h1-5,9H2,(H,12,13)(H2,14,15,16)
InChIKeyYNMKBFBGAKGQQR-UHFFFAOYSA-N
XLogP-1.43
TPSA141.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-amino-2-oxo-1-(3-phosphonopropyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-oxo-1-(3-phosphonopropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-2-oxo-1-(3-phosphonopropyl)pyrrolidine-3-carboxylic acid (CID 139615845) is 3-amino-2-oxo-1-(3-phosphonopropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-2-oxo-1-(3-phosphonopropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-2-oxo-1-(3-phosphonopropyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(CCCP(=O)(O)O)C1=O.
What is the InChIKey of 3-amino-2-oxo-1-(3-phosphonopropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YNMKBFBGAKGQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2O6P/c9-8(7(12)13)2-4-10(6(8)11)3-1-5-17(14,15)16/h1-5,9H2,(H,12,13)(H2,14,15,16).
What are the key properties of 3-amino-2-oxo-1-(3-phosphonopropyl)pyrrolidine-3-carboxylic acid?
3-amino-2-oxo-1-(3-phosphonopropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 266.19 g/mol, XLogP of -1.43, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-oxo-1-(3-phosphonopropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 139615845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).