2-amino-2-[2-hydroxy-5-(2-phosphonoethyl)phenyl]acetic acid

C10H14NO6P — CID 139673271

IUPAC2-amino-2-[2-hydroxy-5-(2-phosphonoethyl)phenyl]acetic acid
SMILESNC(C(=O)O)c1cc(CCP(=O)(O)O)ccc1O
InChIInChI=1S/C10H14NO6P/c11-9(10(13)14)7-5-6(1-2-8(7)12)3-4-18(15,16)17/h1-2,5,9,12H,3-4,11H2,(H,13,14)(H2,15,16,17)
InChIKeyWQECURJGSJYQQI-UHFFFAOYSA-N
MW275.20 g/mol
LogP0.20
Rot. Bonds5

About 2-amino-2-[2-hydroxy-5-(2-phosphonoethyl)phenyl]acetic acid

2-amino-2-[2-hydroxy-5-(2-phosphonoethyl)phenyl]acetic acid (PubChem CID 139673271) has the molecular formula C10H14NO6P and a molecular weight of 275.20 g/mol. Its IUPAC name is 2-amino-2-[2-hydroxy-5-(2-phosphonoethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-hydroxy-5-(2-phosphonoethyl)phenyl]acetic acid
PubChem CID139673271
Molecular FormulaC10H14NO6P
Molecular Weight275.20 g/mol
Exact Mass275.06
IUPAC Name2-amino-2-[2-hydroxy-5-(2-phosphonoethyl)phenyl]acetic acid
SMILESNC(C(=O)O)c1cc(CCP(=O)(O)O)ccc1O
InChIInChI=1S/C10H14NO6P/c11-9(10(13)14)7-5-6(1-2-8(7)12)3-4-18(15,16)17/h1-2,5,9,12H,3-4,11H2,(H,13,14)(H2,15,16,17)
InChIKeyWQECURJGSJYQQI-UHFFFAOYSA-N
XLogP0.20
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 50.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-[3-[(S)-amino(carboxy)methyl]-4-hydroxyphenyl]propanoic acid
CID 66513089
(2S)-2-amino-3-[4-(2-phosphonoethyl)phenyl]propanoic acid
CID 54162396
2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid
CID 84682427
3-[(S)-amino(carboxy)methyl]-4-hydroxybenzoic acid
CID 66512316
3-amino-2-[5-[2-(dimethylamino)ethyl]-2-hydroxyphenyl]propanoic acid
CID 117384165
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;phosphoric acid
CID 89154660
2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid
CID 177244473
(2S)-2-amino-2-(5-butoxy-2-hydroxyphenyl)acetic acid
CID 66512953
2-(3-aminophenyl)ethylphosphonic acid
CID 162391704
(2S)-2-amino-2-[2-hydroxy-5-(trifluoromethoxy)phenyl]acetic acid
CID 66512842
2-(3,5-diaminophenyl)ethylphosphonic acid
CID 166514259
2-amino-2,3-dideuterio-4-(3,4-dihydroxyphenyl)butanoic acid
CID 118599343

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-hydroxy-5-(2-phosphonoethyl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[2-hydroxy-5-(2-phosphonoethyl)phenyl]acetic acid (CID 139673271) is 2-amino-2-[2-hydroxy-5-(2-phosphonoethyl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-hydroxy-5-(2-phosphonoethyl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[2-hydroxy-5-(2-phosphonoethyl)phenyl]acetic acid is NC(C(=O)O)c1cc(CCP(=O)(O)O)ccc1O.
What is the InChIKey of 2-amino-2-[2-hydroxy-5-(2-phosphonoethyl)phenyl]acetic acid?
The InChIKey is WQECURJGSJYQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO6P/c11-9(10(13)14)7-5-6(1-2-8(7)12)3-4-18(15,16)17/h1-2,5,9,12H,3-4,11H2,(H,13,14)(H2,15,16,17).
What are the key properties of 2-amino-2-[2-hydroxy-5-(2-phosphonoethyl)phenyl]acetic acid?
2-amino-2-[2-hydroxy-5-(2-phosphonoethyl)phenyl]acetic acid has a molecular weight of 275.20 g/mol, XLogP of 0.20, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-hydroxy-5-(2-phosphonoethyl)phenyl]acetic acid is sourced from PubChem (CID 139673271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).