2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid

C15H21N3O4 — CID 18223062

IUPAC2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
SMILESCC(NC(=O)C(C)NC(=O)C(N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H21N3O4/c1-9(13(19)18-10(2)15(21)22)17-14(20)12(16)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8,16H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeyBJEYSVHMGIJORT-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.35
Rot. Bonds7

About 2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid

2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid (PubChem CID 18223062) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
PubChem CID18223062
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
SMILESCC(NC(=O)C(C)NC(=O)C(N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H21N3O4/c1-9(13(19)18-10(2)15(21)22)17-14(20)12(16)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8,16H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeyBJEYSVHMGIJORT-UHFFFAOYSA-N
XLogP-0.35
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]propanoic acid
CID 19950021
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]butanedioic acid
CID 15086435
(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
CID 61180741
(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acid
CID 10181616
[(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
CID 54374404
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
CID 71379751
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 71379764
(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
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
(2S)-2-[[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]amino]propanoic acid
CID 175952202

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid?
The IUPAC name of 2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid (CID 18223062) is 2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid.
What is the SMILES notation for 2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid?
The canonical SMILES for 2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid is CC(NC(=O)C(C)NC(=O)C(N)Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid?
The InChIKey is BJEYSVHMGIJORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-9(13(19)18-10(2)15(21)22)17-14(20)12(16)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8,16H2,1-2H3,(H,17,20)(H,18,19)(H,21,22).
What are the key properties of 2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid?
2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid has a molecular weight of 307.35 g/mol, XLogP of -0.35, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid is sourced from PubChem (CID 18223062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).