2-amino-3-[4-(dihydroxyphosphanyloxymethoxy)-3-hydroxyphenyl]propanoic acid

C10H14NO7P — CID 138564415

IUPAC2-amino-3-[4-(dihydroxyphosphanyloxymethoxy)-3-hydroxyphenyl]propanoic acid
SMILESNC(Cc1ccc(OCOP(O)O)c(O)c1)C(=O)O
InChIInChI=1S/C10H14NO7P/c11-7(10(13)14)3-6-1-2-9(8(12)4-6)17-5-18-19(15)16/h1-2,4,7,12,15-16H,3,5,11H2,(H,13,14)
InChIKeyTYEBDAOMMUMNAI-UHFFFAOYSA-N
MW291.20 g/mol
LogP-0.09
Rot. Bonds7

About 2-amino-3-[4-(dihydroxyphosphanyloxymethoxy)-3-hydroxyphenyl]propanoic acid

2-amino-3-[4-(dihydroxyphosphanyloxymethoxy)-3-hydroxyphenyl]propanoic acid (PubChem CID 138564415) has the molecular formula C10H14NO7P and a molecular weight of 291.20 g/mol. Its IUPAC name is 2-amino-3-[4-(dihydroxyphosphanyloxymethoxy)-3-hydroxyphenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(dihydroxyphosphanyloxymethoxy)-3-hydroxyphenyl]propanoic acid
PubChem CID138564415
Molecular FormulaC10H14NO7P
Molecular Weight291.20 g/mol
Exact Mass291.05
IUPAC Name2-amino-3-[4-(dihydroxyphosphanyloxymethoxy)-3-hydroxyphenyl]propanoic acid
SMILESNC(Cc1ccc(OCOP(O)O)c(O)c1)C(=O)O
InChIInChI=1S/C10H14NO7P/c11-7(10(13)14)3-6-1-2-9(8(12)4-6)17-5-18-19(15)16/h1-2,4,7,12,15-16H,3,5,11H2,(H,13,14)
InChIKeyTYEBDAOMMUMNAI-UHFFFAOYSA-N
XLogP-0.09
TPSA142.47 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 19842140
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;uranium
CID 157307595
CID 175932180
CID 175932180
tris((2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid);cerium
CID 163286860
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;hydrate
CID 77239806
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;hydrochloride
CID 66974739
(2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride
CID 70213265
(2S)-2-amino-3-[3-amino-4-[(2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoyl]oxyphenyl]propanoic acid
CID 91296198
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;phosphoric acid
CID 89154660
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;2-methylprop-2-enoic acid
CID 175952352
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;propane-1,2,3-triol
CID 174893743
(2S)-2-amino-3-[3-(deuteriomethoxy)-4-hydroxyphenyl]propanoic acid
CID 141453550

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(dihydroxyphosphanyloxymethoxy)-3-hydroxyphenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(dihydroxyphosphanyloxymethoxy)-3-hydroxyphenyl]propanoic acid (CID 138564415) is 2-amino-3-[4-(dihydroxyphosphanyloxymethoxy)-3-hydroxyphenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(dihydroxyphosphanyloxymethoxy)-3-hydroxyphenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(dihydroxyphosphanyloxymethoxy)-3-hydroxyphenyl]propanoic acid is NC(Cc1ccc(OCOP(O)O)c(O)c1)C(=O)O.
What is the InChIKey of 2-amino-3-[4-(dihydroxyphosphanyloxymethoxy)-3-hydroxyphenyl]propanoic acid?
The InChIKey is TYEBDAOMMUMNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO7P/c11-7(10(13)14)3-6-1-2-9(8(12)4-6)17-5-18-19(15)16/h1-2,4,7,12,15-16H,3,5,11H2,(H,13,14).
What are the key properties of 2-amino-3-[4-(dihydroxyphosphanyloxymethoxy)-3-hydroxyphenyl]propanoic acid?
2-amino-3-[4-(dihydroxyphosphanyloxymethoxy)-3-hydroxyphenyl]propanoic acid has a molecular weight of 291.20 g/mol, XLogP of -0.09, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(dihydroxyphosphanyloxymethoxy)-3-hydroxyphenyl]propanoic acid is sourced from PubChem (CID 138564415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).