2-amino-2-(phosphonomethyl)dodecanoic acid

C13H28NO5P — CID 151787801

IUPAC2-amino-2-(phosphonomethyl)dodecanoic acid
SMILESCCCCCCCCCCC(N)(CP(=O)(O)O)C(=O)O
InChIInChI=1S/C13H28NO5P/c1-2-3-4-5-6-7-8-9-10-13(14,12(15)16)11-20(17,18)19/h2-11,14H2,1H3,(H,15,16)(H2,17,18,19)
InChIKeyRVZDPRLBIHFREX-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.48
Rot. Bonds12

About 2-amino-2-(phosphonomethyl)dodecanoic acid

2-amino-2-(phosphonomethyl)dodecanoic acid (PubChem CID 151787801) has the molecular formula C13H28NO5P and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-amino-2-(phosphonomethyl)dodecanoic acid.

Molecular Properties

Compound Name2-amino-2-(phosphonomethyl)dodecanoic acid
PubChem CID151787801
Molecular FormulaC13H28NO5P
Molecular Weight309.34 g/mol
Exact Mass309.17
IUPAC Name2-amino-2-(phosphonomethyl)dodecanoic acid
SMILESCCCCCCCCCCC(N)(CP(=O)(O)O)C(=O)O
InChIInChI=1S/C13H28NO5P/c1-2-3-4-5-6-7-8-9-10-13(14,12(15)16)11-20(17,18)19/h2-11,14H2,1H3,(H,15,16)(H2,17,18,19)
InChIKeyRVZDPRLBIHFREX-UHFFFAOYSA-N
XLogP2.48
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-octadecylicosanoic acid
CID 18935913
2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride
CID 20978392
(11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid
CID 146620095
(2S)-2-amino-2-[3-[(2S)-2-aminopropanoyl]oxy-3-oxopropyl]icosanoic acid
CID 57305074
2-ethyl-2-phosphonododecanoic acid
CID 88504451
2-chloro-2-decylpropanedioic acid
CID 4986950
2-silyl-2-undecyloctadecanoic acid
CID 173379803
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
2,9-dihexyl-2,9-dioctyldecanedioic acid
CID 172763339
2-dodecyl-2-octyltetradecanoic acid
CID 24889792
2,2-dihexyldecanoic acid
CID 57072933

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(phosphonomethyl)dodecanoic acid?
The IUPAC name of 2-amino-2-(phosphonomethyl)dodecanoic acid (CID 151787801) is 2-amino-2-(phosphonomethyl)dodecanoic acid.
What is the SMILES notation for 2-amino-2-(phosphonomethyl)dodecanoic acid?
The canonical SMILES for 2-amino-2-(phosphonomethyl)dodecanoic acid is CCCCCCCCCCC(N)(CP(=O)(O)O)C(=O)O.
What is the InChIKey of 2-amino-2-(phosphonomethyl)dodecanoic acid?
The InChIKey is RVZDPRLBIHFREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28NO5P/c1-2-3-4-5-6-7-8-9-10-13(14,12(15)16)11-20(17,18)19/h2-11,14H2,1H3,(H,15,16)(H2,17,18,19).
What are the key properties of 2-amino-2-(phosphonomethyl)dodecanoic acid?
2-amino-2-(phosphonomethyl)dodecanoic acid has a molecular weight of 309.34 g/mol, XLogP of 2.48, 12 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(phosphonomethyl)dodecanoic acid is sourced from PubChem (CID 151787801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).