3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid

C9H19N2O5P — CID 139615841

IUPAC3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCCN(CCCP(=O)(O)O)C1
InChIInChI=1S/C9H19N2O5P/c10-9(8(12)13)3-1-4-11(7-9)5-2-6-17(14,15)16/h1-7,10H2,(H,12,13)(H2,14,15,16)
InChIKeyBVLCMJSSIKBEDB-UHFFFAOYSA-N
MW266.23 g/mol
LogP-0.57
Rot. Bonds5

About 3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid

3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid (PubChem CID 139615841) has the molecular formula C9H19N2O5P and a molecular weight of 266.23 g/mol. Its IUPAC name is 3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid
PubChem CID139615841
Molecular FormulaC9H19N2O5P
Molecular Weight266.23 g/mol
Exact Mass266.10
IUPAC Name3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCCN(CCCP(=O)(O)O)C1
InChIInChI=1S/C9H19N2O5P/c10-9(8(12)13)3-1-4-11(7-9)5-2-6-17(14,15)16/h1-7,10H2,(H,12,13)(H2,14,15,16)
InChIKeyBVLCMJSSIKBEDB-UHFFFAOYSA-N
XLogP-0.57
TPSA124.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-butylpiperidine-3-carboxylic acid
CID 117011811
3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid
CID 107324864
3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117011828
3-amino-1-prop-2-enylpiperidine-3-carboxylic acid
CID 117011810
3-amino-1-octylpyrrolidine-3-carboxylic acid
CID 107321089
3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
CID 107324867
3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid
CID 107324753
3-amino-2-oxo-1-(3-phosphonopropyl)pyrrolidine-3-carboxylic acid
CID 139615845
3-amino-1-(3-ethylsulfanylpropyl)pyrrolidine-3-carboxylic acid
CID 107320794
3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 107324696
3-amino-1-(4-phenylbutyl)pyrrolidine-3-carboxylic acid
CID 107325026
(3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid
CID 153347426

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid (CID 139615841) is 3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid is NC1(C(=O)O)CCCN(CCCP(=O)(O)O)C1.
What is the InChIKey of 3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid?
The InChIKey is BVLCMJSSIKBEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O5P/c10-9(8(12)13)3-1-4-11(7-9)5-2-6-17(14,15)16/h1-7,10H2,(H,12,13)(H2,14,15,16).
What are the key properties of 3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid?
3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid has a molecular weight of 266.23 g/mol, XLogP of -0.57, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 139615841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).