2-[[hydroxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid

C26H28NO6P — CID 10719553

IUPAC2-[[hydroxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid
SMILESC[C@H](NC(=O)OCc1ccccc1)P(=O)(O)CC(Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C26H28NO6P/c1-19(27-26(30)33-17-21-8-4-2-5-9-21)34(31,32)18-24(25(28)29)16-20-12-14-23(15-13-20)22-10-6-3-7-11-22/h2-15,19,24H,16-18H2,1H3,(H,27,30)(H,28,29)(H,31,32)/t19-,24?/m1/s1
InChIKeyLZAQAWWDUTXZGB-PHSANKKPSA-N
MW481.49 g/mol
LogP5.14
Rot. Bonds10

About 2-[[hydroxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid

2-[[hydroxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid (PubChem CID 10719553) has the molecular formula C26H28NO6P and a molecular weight of 481.49 g/mol. Its IUPAC name is 2-[[hydroxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name2-[[hydroxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid
PubChem CID10719553
Molecular FormulaC26H28NO6P
Molecular Weight481.49 g/mol
Exact Mass481.17
IUPAC Name2-[[hydroxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid
SMILESC[C@H](NC(=O)OCc1ccccc1)P(=O)(O)CC(Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C26H28NO6P/c1-19(27-26(30)33-17-21-8-4-2-5-9-21)34(31,32)18-24(25(28)29)16-20-12-14-23(15-13-20)22-10-6-3-7-11-22/h2-15,19,24H,16-18H2,1H3,(H,27,30)(H,28,29)(H,31,32)/t19-,24?/m1/s1
InChIKeyLZAQAWWDUTXZGB-PHSANKKPSA-N
XLogP5.14
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.49
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-ethoxy-3-oxo-2-[(4-phenylphenyl)methyl]propyl]-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 18668669
2-[(4-bromophenyl)methyl]-3-[hydroxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]propanoic acid
CID 70147295
(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 7010375
[(2S)-2-benzyl-3-ethoxy-3-oxopropyl]-[(1S)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 24828441
methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate
CID 12990920
(2S)-2-[[(2R)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]methyl]-3-(4-phenylphenyl)propanoyl]amino]-3-phenylpropanoic acid
CID 122406305
methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 12074004
[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-[(5-phenyl-2-phosphorosooxyphenyl)methyl]phosphinic acid
CID 175556052
2-[(4-bromophenyl)methyl]-3-[hydroxy-[1-[(2-oxo-2-phenylacetyl)amino]ethyl]phosphoryl]propanoic acid
CID 67153169
benzyl N-[(2S)-1-chloro-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 176637453
methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 23213402
[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphonic acid
CID 12524618

Frequently Asked Questions

What is the IUPAC name of 2-[[hydroxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid?
The IUPAC name of 2-[[hydroxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid (CID 10719553) is 2-[[hydroxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for 2-[[hydroxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid?
The canonical SMILES for 2-[[hydroxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid is C[C@H](NC(=O)OCc1ccccc1)P(=O)(O)CC(Cc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-[[hydroxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid?
The InChIKey is LZAQAWWDUTXZGB-PHSANKKPSA-N. The full InChI is InChI=1S/C26H28NO6P/c1-19(27-26(30)33-17-21-8-4-2-5-9-21)34(31,32)18-24(25(28)29)16-20-12-14-23(15-13-20)22-10-6-3-7-11-22/h2-15,19,24H,16-18H2,1H3,(H,27,30)(H,28,29)(H,31,32)/t19-,24?/m1/s1.
What are the key properties of 2-[[hydroxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid?
2-[[hydroxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid has a molecular weight of 481.49 g/mol, XLogP of 5.14, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[hydroxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 10719553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).