(2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid

C8H15N2O5P — CID 6435801

IUPAC(2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C/C=C/P(=O)(O)O)CCN1
InChIInChI=1S/C8H15N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h1,5,7,9H,2-4,6H2,(H,11,12)(H2,13,14,15)/b5-1+/t7-/m1/s1
InChIKeyVZXMZMJSGLFKQI-ABVWVHJUSA-N
MW250.19 g/mol
LogP-0.96
Rot. Bonds4

About (2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid

(2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid (PubChem CID 6435801) has the molecular formula C8H15N2O5P and a molecular weight of 250.19 g/mol. Its IUPAC name is (2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid
PubChem CID6435801
Molecular FormulaC8H15N2O5P
Molecular Weight250.19 g/mol
Exact Mass250.07
IUPAC Name(2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C/C=C/P(=O)(O)O)CCN1
InChIInChI=1S/C8H15N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h1,5,7,9H,2-4,6H2,(H,11,12)(H2,13,14,15)/b5-1+/t7-/m1/s1
InChIKeyVZXMZMJSGLFKQI-ABVWVHJUSA-N
XLogP-0.96
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 5-0.96
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-(2-Carboxypiperazin-4-yl)propyl-1-phosphonic acid
CID 1228
Sdz eaa 494
CID 6437356
(2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid
CID 6603754
4-(Phosphonomethyl)piperazine-2-carboxylic acid
CID 17756792
4-[3-[Hydroxy(methyl)phosphoryl]propyl]piperazine-2-carboxylic acid
CID 14751359
4-(2-Phosphonoethyl)piperazine-2-carboxylic acid
CID 13491860
4-(4-Phosphonobutyl)piperazine-2-carboxylic acid
CID 14751350
(r)-4-(3-Phosphono-2-propenyl)-2-piperazinecarboxylic
CID 60673
2-Piperazinecarboxylic acid, 4-[(2E)-3-phosphono-2-propenyl]-, (2R)-
CID 107733
4-(3-Phosphonoprop-1-enyl)piperazine-2-carboxylic acid
CID 53797611
3-Phosphonopropyl-piperazine-2-carboxylic acid
CID 54038860
2-Piperazinecarboxylic acid, 4-(3-phosphonopropyl)-, (S)-
CID 13491857

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid?
The IUPAC name of (2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid (CID 6435801) is (2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid is O=C(O)[C@H]1CN(C/C=C/P(=O)(O)O)CCN1.
What is the InChIKey of (2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid?
The InChIKey is VZXMZMJSGLFKQI-ABVWVHJUSA-N. The full InChI is InChI=1S/C8H15N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h1,5,7,9H,2-4,6H2,(H,11,12)(H2,13,14,15)/b5-1+/t7-/m1/s1.
What are the key properties of (2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid?
(2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid has a molecular weight of 250.19 g/mol, XLogP of -0.96, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 6435801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).