(2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid

C9H12NO6P — CID 66892564

IUPAC(2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid
SMILESN[C@@](Cc1ccc(O)cc1)(C(=O)O)P(=O)(O)O
InChIInChI=1S/C9H12NO6P/c10-9(8(12)13,17(14,15)16)5-6-1-3-7(11)4-2-6/h1-4,11H,5,10H2,(H,12,13)(H2,14,15,16)/t9-/m1/s1
InChIKeyVXPULQMBPNGJOD-SECBINFHSA-N
MW261.17 g/mol
LogP-0.15
Rot. Bonds4

About (2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid

(2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid (PubChem CID 66892564) has the molecular formula C9H12NO6P and a molecular weight of 261.17 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid
PubChem CID66892564
Molecular FormulaC9H12NO6P
Molecular Weight261.17 g/mol
Exact Mass261.04
IUPAC Name(2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid
SMILESN[C@@](Cc1ccc(O)cc1)(C(=O)O)P(=O)(O)O
InChIInChI=1S/C9H12NO6P/c10-9(8(12)13,17(14,15)16)5-6-1-3-7(11)4-2-6/h1-4,11H,5,10H2,(H,12,13)(H2,14,15,16)/t9-/m1/s1
InChIKeyVXPULQMBPNGJOD-SECBINFHSA-N
XLogP-0.15
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 69408244
2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid
CID 11042087
(2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid
CID 90178447
(2S)-3-(4-hydroxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 141089524
(4-hydroxyphenyl)methyl hydrogen carbonate
CID 19956654
2,4-dihydroxy-2-[(4-hydroxyphenyl)methyl]pentanedioic acid
CID 150346240
(2R)-2-[(4-hydroxyphenyl)methyl]-2-(phosphonoamino)pent-4-enoic acid
CID 173217685
(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid
CID 91046027
3-ethoxy-2-[(4-hydroxyphenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 103973782
4-(2-aminoethyl)phenol;phosphoric acid
CID 3029836
benzene-1,4-diol;phosphoric acid
CID 87092335
dimethyl (2S)-2-amino-2-[(4-hydroxyphenyl)methyl]butanedioate
CID 102312983

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid?
The IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid (CID 66892564) is (2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid?
The canonical SMILES for (2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid is N[C@@](Cc1ccc(O)cc1)(C(=O)O)P(=O)(O)O.
What is the InChIKey of (2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid?
The InChIKey is VXPULQMBPNGJOD-SECBINFHSA-N. The full InChI is InChI=1S/C9H12NO6P/c10-9(8(12)13,17(14,15)16)5-6-1-3-7(11)4-2-6/h1-4,11H,5,10H2,(H,12,13)(H2,14,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid?
(2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid has a molecular weight of 261.17 g/mol, XLogP of -0.15, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid is sourced from PubChem (CID 66892564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).