diphenylphosphoryl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate

C24H25N2O4P — CID 70142216

IUPACdiphenylphosphoryl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate
SMILESC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)OP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25N2O4P/c1-18(26-23(27)22(25)17-19-11-5-2-6-12-19)24(28)30-31(29,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22H,17,25H2,1H3,(H,26,27)/t18-,22-/m0/s1
InChIKeyMDYXCUFGHKZYKV-AVRDEDQJSA-N
MW436.45 g/mol
LogP2.53
Rot. Bonds8

About diphenylphosphoryl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate

diphenylphosphoryl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate (PubChem CID 70142216) has the molecular formula C24H25N2O4P and a molecular weight of 436.45 g/mol. Its IUPAC name is diphenylphosphoryl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate.

Molecular Properties

Compound Namediphenylphosphoryl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate
PubChem CID70142216
Molecular FormulaC24H25N2O4P
Molecular Weight436.45 g/mol
Exact Mass436.16
IUPAC Namediphenylphosphoryl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate
SMILESC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)OP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25N2O4P/c1-18(26-23(27)22(25)17-19-11-5-2-6-12-19)24(28)30-31(29,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22H,17,25H2,1H3,(H,26,27)/t18-,22-/m0/s1
InChIKeyMDYXCUFGHKZYKV-AVRDEDQJSA-N
XLogP2.53
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
methyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]propanoate
CID 175796377
2-bromoethyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate
CID 70619244
2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
CID 18223062
[(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
CID 54374404
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
methyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoate
CID 11771430
(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
CID 61180741
2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide
CID 59684100
tert-butyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoate
CID 175818878
(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 61153941
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310

Frequently Asked Questions

What is the IUPAC name of diphenylphosphoryl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate?
The IUPAC name of diphenylphosphoryl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate (CID 70142216) is diphenylphosphoryl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate.
What is the SMILES notation for diphenylphosphoryl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate?
The canonical SMILES for diphenylphosphoryl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate is C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)OP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphoryl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate?
The InChIKey is MDYXCUFGHKZYKV-AVRDEDQJSA-N. The full InChI is InChI=1S/C24H25N2O4P/c1-18(26-23(27)22(25)17-19-11-5-2-6-12-19)24(28)30-31(29,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22H,17,25H2,1H3,(H,26,27)/t18-,22-/m0/s1.
What are the key properties of diphenylphosphoryl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate?
diphenylphosphoryl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate has a molecular weight of 436.45 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphoryl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate is sourced from PubChem (CID 70142216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).