(2S)-2-(dibutoxyphosphorylamino)propanoic acid

C11H24NO5P — CID 71351909

IUPAC(2S)-2-(dibutoxyphosphorylamino)propanoic acid
SMILESCCCCOP(=O)(N[C@@H](C)C(=O)O)OCCCC
InChIInChI=1S/C11H24NO5P/c1-4-6-8-16-18(15,17-9-7-5-2)12-10(3)11(13)14/h10H,4-9H2,1-3H3,(H,12,15)(H,13,14)/t10-/m0/s1
InChIKeyHODLZJOARMMBMH-JTQLQIEISA-N
MW281.29 g/mol
LogP2.79
Rot. Bonds11

About (2S)-2-(dibutoxyphosphorylamino)propanoic acid

(2S)-2-(dibutoxyphosphorylamino)propanoic acid (PubChem CID 71351909) has the molecular formula C11H24NO5P and a molecular weight of 281.29 g/mol. Its IUPAC name is (2S)-2-(dibutoxyphosphorylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(dibutoxyphosphorylamino)propanoic acid
PubChem CID71351909
Molecular FormulaC11H24NO5P
Molecular Weight281.29 g/mol
Exact Mass281.14
IUPAC Name(2S)-2-(dibutoxyphosphorylamino)propanoic acid
SMILESCCCCOP(=O)(N[C@@H](C)C(=O)O)OCCCC
InChIInChI=1S/C11H24NO5P/c1-4-6-8-16-18(15,17-9-7-5-2)12-10(3)11(13)14/h10H,4-9H2,1-3H3,(H,12,15)(H,13,14)/t10-/m0/s1
InChIKeyHODLZJOARMMBMH-JTQLQIEISA-N
XLogP2.79
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

butoxy-N-propan-2-ylphosphonamidic acid
CID 146414796
(2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid
CID 159867621
(2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten
CID 170514941
2-dibutoxyphosphoryl-2-(methanethioylamino)acetic acid
CID 88836643
dibutyl phosphate;tetramethylphosphanium
CID 87474476
1-[butoxy(propan-2-yl)phosphoryl]oxybutane
CID 580343
(2S,3S)-2-(diethoxyphosphorylamino)-3-methylpentanoic acid
CID 119083769
dibutyl 1-oxopropan-2-yl phosphate
CID 173346791
dibutyl hydrogen phosphate
CID 158586372
dibutoxyphosphorylmethanediol
CID 87672065
CID 161488453
CID 161488453
propane-1,2,3-triol;tributyl phosphate
CID 162064877

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dibutoxyphosphorylamino)propanoic acid?
The IUPAC name of (2S)-2-(dibutoxyphosphorylamino)propanoic acid (CID 71351909) is (2S)-2-(dibutoxyphosphorylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(dibutoxyphosphorylamino)propanoic acid?
The canonical SMILES for (2S)-2-(dibutoxyphosphorylamino)propanoic acid is CCCCOP(=O)(N[C@@H](C)C(=O)O)OCCCC.
What is the InChIKey of (2S)-2-(dibutoxyphosphorylamino)propanoic acid?
The InChIKey is HODLZJOARMMBMH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24NO5P/c1-4-6-8-16-18(15,17-9-7-5-2)12-10(3)11(13)14/h10H,4-9H2,1-3H3,(H,12,15)(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-(dibutoxyphosphorylamino)propanoic acid?
(2S)-2-(dibutoxyphosphorylamino)propanoic acid has a molecular weight of 281.29 g/mol, XLogP of 2.79, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibutoxyphosphorylamino)propanoic acid is sourced from PubChem (CID 71351909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).