(2S)-1-(2-phosphonoacetyl)piperidine-2-carboxylic acid

C8H14NO6P — CID 67943687

IUPAC(2S)-1-(2-phosphonoacetyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)CP(=O)(O)O
InChIInChI=1S/C8H14NO6P/c10-7(5-16(13,14)15)9-4-2-1-3-6(9)8(11)12/h6H,1-5H2,(H,11,12)(H2,13,14,15)/t6-/m0/s1
InChIKeyHHTDFKALMXBOTP-LURJTMIESA-N
MW251.17 g/mol
LogP-0.37
Rot. Bonds3

About (2S)-1-(2-phosphonoacetyl)piperidine-2-carboxylic acid

(2S)-1-(2-phosphonoacetyl)piperidine-2-carboxylic acid (PubChem CID 67943687) has the molecular formula C8H14NO6P and a molecular weight of 251.17 g/mol. Its IUPAC name is (2S)-1-(2-phosphonoacetyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-phosphonoacetyl)piperidine-2-carboxylic acid
PubChem CID67943687
Molecular FormulaC8H14NO6P
Molecular Weight251.17 g/mol
Exact Mass251.06
IUPAC Name(2S)-1-(2-phosphonoacetyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)CP(=O)(O)O
InChIInChI=1S/C8H14NO6P/c10-7(5-16(13,14)15)9-4-2-1-3-6(9)8(11)12/h6H,1-5H2,(H,11,12)(H2,13,14,15)/t6-/m0/s1
InChIKeyHHTDFKALMXBOTP-LURJTMIESA-N
XLogP-0.37
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
1-(2-pyrrolidin-1-ylacetyl)piperidine-2-carboxylic acid
CID 68753456
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
1-[2-(dimethylamino)acetyl]piperidine-2-carboxylic acid
CID 79018258
1-(3-aminopropanoyl)azepane-2-carboxylic acid
CID 64564266
(2S)-1-(2-methylsulfonylacetyl)piperidine-2-carboxylic acid
CID 66263848
1-[2-(oxolan-2-yl)acetyl]azepane-2-carboxylic acid
CID 65156903
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 82041542
1-(3-aminobutanoyl)piperidine-2-carboxylic acid
CID 61156814
(2R)-1-[2-(1-aminocyclobutyl)acetyl]piperidine-2-carboxylic acid
CID 79854851
(2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid
CID 28778059

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-phosphonoacetyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-phosphonoacetyl)piperidine-2-carboxylic acid (CID 67943687) is (2S)-1-(2-phosphonoacetyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-phosphonoacetyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-phosphonoacetyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)CP(=O)(O)O.
What is the InChIKey of (2S)-1-(2-phosphonoacetyl)piperidine-2-carboxylic acid?
The InChIKey is HHTDFKALMXBOTP-LURJTMIESA-N. The full InChI is InChI=1S/C8H14NO6P/c10-7(5-16(13,14)15)9-4-2-1-3-6(9)8(11)12/h6H,1-5H2,(H,11,12)(H2,13,14,15)/t6-/m0/s1.
What are the key properties of (2S)-1-(2-phosphonoacetyl)piperidine-2-carboxylic acid?
(2S)-1-(2-phosphonoacetyl)piperidine-2-carboxylic acid has a molecular weight of 251.17 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-phosphonoacetyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 67943687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).