1-[3-(oxo-λ5-phosphanylidyne)propyl]piperazine-2-carboxylic acid

C8H13N2O3P — CID 141112718

IUPAC1-[3-(oxo-λ5-phosphanylidyne)propyl]piperazine-2-carboxylic acid
SMILESO=P#CCCN1CCNCC1C(=O)O
InChIInChI=1S/C8H13N2O3P/c11-8(12)7-6-9-2-4-10(7)3-1-5-14-13/h7,9H,1-4,6H2,(H,11,12)
InChIKeyIHBUOSLQQPHCKZ-UHFFFAOYSA-N
MW216.18 g/mol
LogP-0.01
Rot. Bonds3

About 1-[3-(oxo-λ5-phosphanylidyne)propyl]piperazine-2-carboxylic acid

1-[3-(oxo-λ5-phosphanylidyne)propyl]piperazine-2-carboxylic acid (PubChem CID 141112718) has the molecular formula C8H13N2O3P and a molecular weight of 216.18 g/mol. Its IUPAC name is 1-[3-(oxo-λ5-phosphanylidyne)propyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(oxo-λ5-phosphanylidyne)propyl]piperazine-2-carboxylic acid
PubChem CID141112718
Molecular FormulaC8H13N2O3P
Molecular Weight216.18 g/mol
Exact Mass216.07
IUPAC Name1-[3-(oxo-λ5-phosphanylidyne)propyl]piperazine-2-carboxylic acid
SMILESO=P#CCCN1CCNCC1C(=O)O
InChIInChI=1S/C8H13N2O3P/c11-8(12)7-6-9-2-4-10(7)3-1-5-14-13/h7,9H,1-4,6H2,(H,11,12)
InChIKeyIHBUOSLQQPHCKZ-UHFFFAOYSA-N
XLogP-0.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hept-6-enylpiperazine-2-carboxylic acid
CID 107008029
1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid
CID 106933551
1-methylpiperazine-2-carboxylic acid;hydrochloride
CID 91989357
(2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid
CID 86329900
1-[(3-chloro-2-fluorophenyl)methyl]piperazine-2-carboxylic acid
CID 114488257
1-piperazin-1-ylpiperazine-2-carboxylic acid
CID 175298820
1-methyl-1,4-diazepane-2-carboxylic acid
CID 23090542
(2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid
CID 97166514
1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid
CID 71646339
1-[(E)-4-ethoxy-4-oxobut-2-enyl]piperazine-2-carboxylic acid
CID 80549154
1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperazine-2-carboxylic acid
CID 118729895
1-[(3-chlorophenyl)methyl]piperazine-2-carboxylic acid;hydrochloride
CID 156595749

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxo-λ5-phosphanylidyne)propyl]piperazine-2-carboxylic acid?
The IUPAC name of 1-[3-(oxo-λ5-phosphanylidyne)propyl]piperazine-2-carboxylic acid (CID 141112718) is 1-[3-(oxo-λ5-phosphanylidyne)propyl]piperazine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(oxo-λ5-phosphanylidyne)propyl]piperazine-2-carboxylic acid?
The canonical SMILES for 1-[3-(oxo-λ5-phosphanylidyne)propyl]piperazine-2-carboxylic acid is O=P#CCCN1CCNCC1C(=O)O.
What is the InChIKey of 1-[3-(oxo-λ5-phosphanylidyne)propyl]piperazine-2-carboxylic acid?
The InChIKey is IHBUOSLQQPHCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2O3P/c11-8(12)7-6-9-2-4-10(7)3-1-5-14-13/h7,9H,1-4,6H2,(H,11,12).
What are the key properties of 1-[3-(oxo-λ5-phosphanylidyne)propyl]piperazine-2-carboxylic acid?
1-[3-(oxo-λ5-phosphanylidyne)propyl]piperazine-2-carboxylic acid has a molecular weight of 216.18 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxo-λ5-phosphanylidyne)propyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 141112718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).