2-[di(propan-2-yloxy)phosphorylamino]-3-(4-hydroxyphenyl)propanoic acid

C15H24NO6P — CID 15224756

IUPAC2-[di(propan-2-yloxy)phosphorylamino]-3-(4-hydroxyphenyl)propanoic acid
SMILESCC(C)OP(=O)(NC(Cc1ccc(O)cc1)C(=O)O)OC(C)C
InChIInChI=1S/C15H24NO6P/c1-10(2)21-23(20,22-11(3)4)16-14(15(18)19)9-12-5-7-13(17)8-6-12/h5-8,10-11,14,17H,9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyNMZNFLKKGZPCKE-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.94
Rot. Bonds9

About 2-[di(propan-2-yloxy)phosphorylamino]-3-(4-hydroxyphenyl)propanoic acid

2-[di(propan-2-yloxy)phosphorylamino]-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 15224756) has the molecular formula C15H24NO6P and a molecular weight of 345.33 g/mol. Its IUPAC name is 2-[di(propan-2-yloxy)phosphorylamino]-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-[di(propan-2-yloxy)phosphorylamino]-3-(4-hydroxyphenyl)propanoic acid
PubChem CID15224756
Molecular FormulaC15H24NO6P
Molecular Weight345.33 g/mol
Exact Mass345.13
IUPAC Name2-[di(propan-2-yloxy)phosphorylamino]-3-(4-hydroxyphenyl)propanoic acid
SMILESCC(C)OP(=O)(NC(Cc1ccc(O)cc1)C(=O)O)OC(C)C
InChIInChI=1S/C15H24NO6P/c1-10(2)21-23(20,22-11(3)4)16-14(15(18)19)9-12-5-7-13(17)8-6-12/h5-8,10-11,14,17H,9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyNMZNFLKKGZPCKE-UHFFFAOYSA-N
XLogP2.94
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid
CID 11484292
(2S)-2-[[(2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoyl]amino]propanoic acid
CID 10916375
2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid
CID 67878894
(2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride
CID 56845306
2-amino-3-(4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid
CID 67405469
(2S)-3-(4-hydroxyphenyl)-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
CID 103940319
3-(4-hydroxyphenyl)-2-(4-methylpentan-2-ylamino)propanoic acid
CID 114284796
2-(ethoxyamino)-3-(4-hydroxyphenyl)propanoic acid
CID 87113831
(2R)-3-(4-hydroxyphenyl)-2-(propan-2-ylcarbamoylamino)propanoic acid
CID 28737836
[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]astatine
CID 175700349
(2S)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 61173060
2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680

Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yloxy)phosphorylamino]-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-[di(propan-2-yloxy)phosphorylamino]-3-(4-hydroxyphenyl)propanoic acid (CID 15224756) is 2-[di(propan-2-yloxy)phosphorylamino]-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-[di(propan-2-yloxy)phosphorylamino]-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-[di(propan-2-yloxy)phosphorylamino]-3-(4-hydroxyphenyl)propanoic acid is CC(C)OP(=O)(NC(Cc1ccc(O)cc1)C(=O)O)OC(C)C.
What is the InChIKey of 2-[di(propan-2-yloxy)phosphorylamino]-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is NMZNFLKKGZPCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO6P/c1-10(2)21-23(20,22-11(3)4)16-14(15(18)19)9-12-5-7-13(17)8-6-12/h5-8,10-11,14,17H,9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-[di(propan-2-yloxy)phosphorylamino]-3-(4-hydroxyphenyl)propanoic acid?
2-[di(propan-2-yloxy)phosphorylamino]-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 345.33 g/mol, XLogP of 2.94, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yloxy)phosphorylamino]-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 15224756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).