3-[hydroxy(1H-indol-4-yl)phosphoryl]-2-phenylpentanoic acid

C19H20NO4P — CID 19357743

IUPAC3-[hydroxy(1H-indol-4-yl)phosphoryl]-2-phenylpentanoic acid
SMILESCCC(C(C(=O)O)c1ccccc1)P(=O)(O)c1cccc2[nH]ccc12
InChIInChI=1S/C19H20NO4P/c1-2-16(18(19(21)22)13-7-4-3-5-8-13)25(23,24)17-10-6-9-15-14(17)11-12-20-15/h3-12,16,18,20H,2H2,1H3,(H,21,22)(H,23,24)
InChIKeyDFMCRTXAIZJXDI-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.71
Rot. Bonds6

About 3-[hydroxy(1H-indol-4-yl)phosphoryl]-2-phenylpentanoic acid

3-[hydroxy(1H-indol-4-yl)phosphoryl]-2-phenylpentanoic acid (PubChem CID 19357743) has the molecular formula C19H20NO4P and a molecular weight of 357.35 g/mol. Its IUPAC name is 3-[hydroxy(1H-indol-4-yl)phosphoryl]-2-phenylpentanoic acid.

Molecular Properties

Compound Name3-[hydroxy(1H-indol-4-yl)phosphoryl]-2-phenylpentanoic acid
PubChem CID19357743
Molecular FormulaC19H20NO4P
Molecular Weight357.35 g/mol
Exact Mass357.11
IUPAC Name3-[hydroxy(1H-indol-4-yl)phosphoryl]-2-phenylpentanoic acid
SMILESCCC(C(C(=O)O)c1ccccc1)P(=O)(O)c1cccc2[nH]ccc12
InChIInChI=1S/C19H20NO4P/c1-2-16(18(19(21)22)13-7-4-3-5-8-13)25(23,24)17-10-6-9-15-14(17)11-12-20-15/h3-12,16,18,20H,2H2,1H3,(H,21,22)(H,23,24)
InChIKeyDFMCRTXAIZJXDI-UHFFFAOYSA-N
XLogP3.71
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[hydroxy(methyl)phosphoryl]-2-phenylpentanoic acid
CID 19357757
3-[hydroxy(2-naphthalen-1-ylethyl)phosphoryl]-2-phenylpentanoic acid
CID 54167353
(2R)-3-ethyl-2-phenylpentanoic acid
CID 124511908
1,1-diphenylbutan-2-ylphosphonic acid
CID 173118550
3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62827566
N-(2-aminobutyl)-1H-indole-4-carboxamide
CID 63733452
(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
CID 93286189
3-[hydroxy(naphthalen-2-yl)phosphoryl]-2-phenylnonanoic acid
CID 19357678
2-[1-[hydroxy(naphthalen-1-yl)phosphoryl]heptyl]pentanedioic acid
CID 19357811
1-(1H-indol-4-yl)-3-phenylbutan-1-ol
CID 115351872
N-(2-aminopyrimidin-4-yl)-N-[(1R)-1-phenylpropyl]-1H-indole-4-carboxamide
CID 123136749
3-[ethyl(1H-indole-4-carbonyl)amino]butanoic acid
CID 62827427

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(1H-indol-4-yl)phosphoryl]-2-phenylpentanoic acid?
The IUPAC name of 3-[hydroxy(1H-indol-4-yl)phosphoryl]-2-phenylpentanoic acid (CID 19357743) is 3-[hydroxy(1H-indol-4-yl)phosphoryl]-2-phenylpentanoic acid.
What is the SMILES notation for 3-[hydroxy(1H-indol-4-yl)phosphoryl]-2-phenylpentanoic acid?
The canonical SMILES for 3-[hydroxy(1H-indol-4-yl)phosphoryl]-2-phenylpentanoic acid is CCC(C(C(=O)O)c1ccccc1)P(=O)(O)c1cccc2[nH]ccc12.
What is the InChIKey of 3-[hydroxy(1H-indol-4-yl)phosphoryl]-2-phenylpentanoic acid?
The InChIKey is DFMCRTXAIZJXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20NO4P/c1-2-16(18(19(21)22)13-7-4-3-5-8-13)25(23,24)17-10-6-9-15-14(17)11-12-20-15/h3-12,16,18,20H,2H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-[hydroxy(1H-indol-4-yl)phosphoryl]-2-phenylpentanoic acid?
3-[hydroxy(1H-indol-4-yl)phosphoryl]-2-phenylpentanoic acid has a molecular weight of 357.35 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(1H-indol-4-yl)phosphoryl]-2-phenylpentanoic acid is sourced from PubChem (CID 19357743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).