2-(diphenoxyphosphorylcarbamoylamino)-2-(4-hydroxyphenyl)acetic acid

C21H19N2O7P — CID 21388352

IUPAC2-(diphenoxyphosphorylcarbamoylamino)-2-(4-hydroxyphenyl)acetic acid
SMILESO=C(NC(C(=O)O)c1ccc(O)cc1)NP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C21H19N2O7P/c24-16-13-11-15(12-14-16)19(20(25)26)22-21(27)23-31(28,29-17-7-3-1-4-8-17)30-18-9-5-2-6-10-18/h1-14,19,24H,(H,25,26)(H2,22,23,27,28)
InChIKeyLUAYXZGPAQIMTI-UHFFFAOYSA-N
MW442.36 g/mol
LogP4.08
Rot. Bonds8

About 2-(diphenoxyphosphorylcarbamoylamino)-2-(4-hydroxyphenyl)acetic acid

2-(diphenoxyphosphorylcarbamoylamino)-2-(4-hydroxyphenyl)acetic acid (PubChem CID 21388352) has the molecular formula C21H19N2O7P and a molecular weight of 442.36 g/mol. Its IUPAC name is 2-(diphenoxyphosphorylcarbamoylamino)-2-(4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(diphenoxyphosphorylcarbamoylamino)-2-(4-hydroxyphenyl)acetic acid
PubChem CID21388352
Molecular FormulaC21H19N2O7P
Molecular Weight442.36 g/mol
Exact Mass442.09
IUPAC Name2-(diphenoxyphosphorylcarbamoylamino)-2-(4-hydroxyphenyl)acetic acid
SMILESO=C(NC(C(=O)O)c1ccc(O)cc1)NP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C21H19N2O7P/c24-16-13-11-15(12-14-16)19(20(25)26)22-21(27)23-31(28,29-17-7-3-1-4-8-17)30-18-9-5-2-6-10-18/h1-14,19,24H,(H,25,26)(H2,22,23,27,28)
InChIKeyLUAYXZGPAQIMTI-UHFFFAOYSA-N
XLogP4.08
TPSA134.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.36
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid
CID 104898888
2-formamido-2-(4-hydroxyphenyl)acetic acid
CID 10171318
2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
CID 60993438
CID 131883402
CID 131883402
2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid
CID 20562428
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
N-diphenoxyphosphoryl-1-phenylethanamine
CID 4689320
(2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61465982
2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
CID 43079894
2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 119113417
2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid
CID 13306003
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214

Frequently Asked Questions

What is the IUPAC name of 2-(diphenoxyphosphorylcarbamoylamino)-2-(4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(diphenoxyphosphorylcarbamoylamino)-2-(4-hydroxyphenyl)acetic acid (CID 21388352) is 2-(diphenoxyphosphorylcarbamoylamino)-2-(4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(diphenoxyphosphorylcarbamoylamino)-2-(4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(diphenoxyphosphorylcarbamoylamino)-2-(4-hydroxyphenyl)acetic acid is O=C(NC(C(=O)O)c1ccc(O)cc1)NP(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2-(diphenoxyphosphorylcarbamoylamino)-2-(4-hydroxyphenyl)acetic acid?
The InChIKey is LUAYXZGPAQIMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N2O7P/c24-16-13-11-15(12-14-16)19(20(25)26)22-21(27)23-31(28,29-17-7-3-1-4-8-17)30-18-9-5-2-6-10-18/h1-14,19,24H,(H,25,26)(H2,22,23,27,28).
What are the key properties of 2-(diphenoxyphosphorylcarbamoylamino)-2-(4-hydroxyphenyl)acetic acid?
2-(diphenoxyphosphorylcarbamoylamino)-2-(4-hydroxyphenyl)acetic acid has a molecular weight of 442.36 g/mol, XLogP of 4.08, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diphenoxyphosphorylcarbamoylamino)-2-(4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 21388352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).