[(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid

C14H22N3O5P — CID 54374404

IUPAC[(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
SMILESC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)P(=O)(O)O
InChIInChI=1S/C14H22N3O5P/c1-9(13(18)17-10(2)23(20,21)22)16-14(19)12(15)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8,15H2,1-2H3,(H,16,19)(H,17,18)(H2,20,21,22)/t9-,10+,12-/m0/s1
InChIKeyUVLRGBDQNXCGSC-UMNHJUIQSA-N
MW343.32 g/mol
LogP-0.30
Rot. Bonds7

About [(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid

[(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid (PubChem CID 54374404) has the molecular formula C14H22N3O5P and a molecular weight of 343.32 g/mol. Its IUPAC name is [(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid.

Molecular Properties

Compound Name[(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
PubChem CID54374404
Molecular FormulaC14H22N3O5P
Molecular Weight343.32 g/mol
Exact Mass343.13
IUPAC Name[(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
SMILESC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)P(=O)(O)O
InChIInChI=1S/C14H22N3O5P/c1-9(13(18)17-10(2)23(20,21)22)16-14(19)12(15)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8,15H2,1-2H3,(H,16,19)(H,17,18)(H2,20,21,22)/t9-,10+,12-/m0/s1
InChIKeyUVLRGBDQNXCGSC-UMNHJUIQSA-N
XLogP-0.30
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic 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-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
CID 18223062
(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
CID 61180741
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]butanedioic acid
CID 15086435
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide
CID 135306568
(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 61153941
diphenylphosphoryl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate
CID 70142216
2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide
CID 59684100
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]propanamide
CID 18598850
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid
CID 22215051
2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]pentanedioic acid
CID 18223065

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid?
The IUPAC name of [(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid (CID 54374404) is [(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid.
What is the SMILES notation for [(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid?
The canonical SMILES for [(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid is C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)P(=O)(O)O.
What is the InChIKey of [(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid?
The InChIKey is UVLRGBDQNXCGSC-UMNHJUIQSA-N. The full InChI is InChI=1S/C14H22N3O5P/c1-9(13(18)17-10(2)23(20,21)22)16-14(19)12(15)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8,15H2,1-2H3,(H,16,19)(H,17,18)(H2,20,21,22)/t9-,10+,12-/m0/s1.
What are the key properties of [(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid?
[(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid has a molecular weight of 343.32 g/mol, XLogP of -0.30, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid is sourced from PubChem (CID 54374404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).