(4Z)-4-(phosphonomethylidene)piperidine-2-carboxylic acid

C7H12NO5P — CID 67838633

IUPAC(4Z)-4-(phosphonomethylidene)piperidine-2-carboxylic acid
SMILESO=C(O)C1C/C(=C\P(=O)(O)O)CCN1
InChIInChI=1S/C7H12NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h4,6,8H,1-3H2,(H,9,10)(H2,11,12,13)/b5-4-
InChIKeyIGOXTRQDQZJPTG-PLNGDYQASA-N
MW221.15 g/mol
LogP-0.12
Rot. Bonds2

About (4Z)-4-(phosphonomethylidene)piperidine-2-carboxylic acid

(4Z)-4-(phosphonomethylidene)piperidine-2-carboxylic acid (PubChem CID 67838633) has the molecular formula C7H12NO5P and a molecular weight of 221.15 g/mol. Its IUPAC name is (4Z)-4-(phosphonomethylidene)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(4Z)-4-(phosphonomethylidene)piperidine-2-carboxylic acid
PubChem CID67838633
Molecular FormulaC7H12NO5P
Molecular Weight221.15 g/mol
Exact Mass221.05
IUPAC Name(4Z)-4-(phosphonomethylidene)piperidine-2-carboxylic acid
SMILESO=C(O)C1C/C(=C\P(=O)(O)O)CCN1
InChIInChI=1S/C7H12NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h4,6,8H,1-3H2,(H,9,10)(H2,11,12,13)/b5-4-
InChIKeyIGOXTRQDQZJPTG-PLNGDYQASA-N
XLogP-0.12
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-4-[(E)-3-phosphonoprop-1-enyl]piperidine-2-carboxylic acid
CID 44284897
(2R,4R)-4-[(E)-3-phosphonoprop-1-enyl]piperidine-2-carboxylic acid
CID 14541461
(2R,4S)-4-[(E)-3-phosphonoprop-1-enyl]piperidine-2-carboxylic acid
CID 14541462
(2R,4R)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
CID 14541468
(2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
CID 14541469
(2S,4R)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
CID 44284898
4-(3-Phosphonoprop-1-enyl)piperidine-2-carboxylic acid
CID 54232403
5-Methylidenepiperidine-2-carboxylic acid
CID 91220064
[(3R,6R)-6-carboxypiperidin-1-ium-3-yl]-hydroxyphosphinate
CID 168330138
6-Phosphonopiperidine-2-carboxylic acid
CID 23415561
4-[(E)-3-phosphonoprop-1-enyl]piperidine-2-carboxylic acid
CID 14541460
4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
CID 14541467

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(phosphonomethylidene)piperidine-2-carboxylic acid?
The IUPAC name of (4Z)-4-(phosphonomethylidene)piperidine-2-carboxylic acid (CID 67838633) is (4Z)-4-(phosphonomethylidene)piperidine-2-carboxylic acid.
What is the SMILES notation for (4Z)-4-(phosphonomethylidene)piperidine-2-carboxylic acid?
The canonical SMILES for (4Z)-4-(phosphonomethylidene)piperidine-2-carboxylic acid is O=C(O)C1C/C(=C\P(=O)(O)O)CCN1.
What is the InChIKey of (4Z)-4-(phosphonomethylidene)piperidine-2-carboxylic acid?
The InChIKey is IGOXTRQDQZJPTG-PLNGDYQASA-N. The full InChI is InChI=1S/C7H12NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h4,6,8H,1-3H2,(H,9,10)(H2,11,12,13)/b5-4-.
What are the key properties of (4Z)-4-(phosphonomethylidene)piperidine-2-carboxylic acid?
(4Z)-4-(phosphonomethylidene)piperidine-2-carboxylic acid has a molecular weight of 221.15 g/mol, XLogP of -0.12, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(phosphonomethylidene)piperidine-2-carboxylic acid is sourced from PubChem (CID 67838633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).