[[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate

C20H26N2O4Sn — CID 124629701

IUPAC[[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate
SMILESC[Sn](C)(OC(=O)[C@@H](N)Cc1ccccc1)OC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/2C9H11NO2.2CH3.Sn/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;;;/h2*1-5,8H,6,10H2,(H,11,12);2*1H3;/q;;;;+2/p-2/t2*8-;;;/m00.../s1
InChIKeyUIWNEUPWWZZJML-VSODYHHCSA-L
MW477.15 g/mol
LogP1.91
Rot. Bonds8

About [[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate

[[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate (PubChem CID 124629701) has the molecular formula C20H26N2O4Sn and a molecular weight of 477.15 g/mol. Its IUPAC name is [[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate.

Molecular Properties

Compound Name[[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate
PubChem CID124629701
Molecular FormulaC20H26N2O4Sn
Molecular Weight477.15 g/mol
Exact Mass478.09
IUPAC Name[[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate
SMILESC[Sn](C)(OC(=O)[C@@H](N)Cc1ccccc1)OC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/2C9H11NO2.2CH3.Sn/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;;;/h2*1-5,8H,6,10H2,(H,11,12);2*1H3;/q;;;;+2/p-2/t2*8-;;;/m00.../s1
InChIKeyUIWNEUPWWZZJML-VSODYHHCSA-L
XLogP1.91
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.15
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate with MolForge

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Related Compounds

methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
CID 175525029
CID 175525029
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate
CID 22763650
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
deuteriomethyl (2S)-2-amino-3-phenylpropanoate
CID 56622485
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
CID 104902257
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
3-[(2S)-2-amino-3-phenylpropanoyl]oxypropyl (2S)-2-amino-3-phenylpropanoate
CID 100951987

Frequently Asked Questions

What is the IUPAC name of [[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate?
The IUPAC name of [[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate (CID 124629701) is [[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate.
What is the SMILES notation for [[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate?
The canonical SMILES for [[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate is C[Sn](C)(OC(=O)[C@@H](N)Cc1ccccc1)OC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of [[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate?
The InChIKey is UIWNEUPWWZZJML-VSODYHHCSA-L. The full InChI is InChI=1S/2C9H11NO2.2CH3.Sn/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;;;/h2*1-5,8H,6,10H2,(H,11,12);2*1H3;/q;;;;+2/p-2/t2*8-;;;/m00.../s1.
What are the key properties of [[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate?
[[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate has a molecular weight of 477.15 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate is sourced from PubChem (CID 124629701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).