(2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid

C15H24NO5P — CID 11484292

IUPAC(2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid
SMILESCC(C)OP(=O)(N[C@@H](Cc1ccccc1)C(=O)O)OC(C)C
InChIInChI=1S/C15H24NO5P/c1-11(2)20-22(19,21-12(3)4)16-14(15(17)18)10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H,16,19)(H,17,18)/t14-/m0/s1
InChIKeyRGSFXCVQFSSWKN-AWEZNQCLSA-N
MW329.33 g/mol
LogP3.23
Rot. Bonds9

About (2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid

(2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid (PubChem CID 11484292) has the molecular formula C15H24NO5P and a molecular weight of 329.33 g/mol. Its IUPAC name is (2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid
PubChem CID11484292
Molecular FormulaC15H24NO5P
Molecular Weight329.33 g/mol
Exact Mass329.14
IUPAC Name(2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid
SMILESCC(C)OP(=O)(N[C@@H](Cc1ccccc1)C(=O)O)OC(C)C
InChIInChI=1S/C15H24NO5P/c1-11(2)20-22(19,21-12(3)4)16-14(15(17)18)10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H,16,19)(H,17,18)/t14-/m0/s1
InChIKeyRGSFXCVQFSSWKN-AWEZNQCLSA-N
XLogP3.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[di(propan-2-yloxy)phosphorylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 15224756
(2S)-2-[[(2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoyl]amino]propanoic acid
CID 10916375
2-(diethylphosphorylamino)-3-phenylpropanoic acid
CID 134097775
(2S)-N-di(propan-2-yloxy)phosphoryl-1-phenylpropan-2-amine;(2S)-1-phenylpropan-2-amine
CID 162245809
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
2-[[(1S)-1-carboxyethyl]amino]-3-phenylpropanoic acid
CID 155261941
(2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
CID 59096129
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
CID 70012014
(2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 67559512
3-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065103

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid (CID 11484292) is (2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid is CC(C)OP(=O)(N[C@@H](Cc1ccccc1)C(=O)O)OC(C)C.
What is the InChIKey of (2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid?
The InChIKey is RGSFXCVQFSSWKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24NO5P/c1-11(2)20-22(19,21-12(3)4)16-14(15(17)18)10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H,16,19)(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid?
(2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid has a molecular weight of 329.33 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 11484292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).