2-[[4-amino-4-oxo-2-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid

C15H19N3O5 — CID 146381982

IUPAC2-[[4-amino-4-oxo-2-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid
SMILESCC(NC(=O)C(CC(N)=O)NC(=O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H19N3O5/c1-9(15(22)23)17-14(21)11(8-12(16)19)18-13(20)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H2,16,19)(H,17,21)(H,18,20)(H,22,23)
InChIKeyDRKPXKXIZLYQMD-UHFFFAOYSA-N
MW321.33 g/mol
LogP-0.82
Rot. Bonds8

About 2-[[4-amino-4-oxo-2-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid

2-[[4-amino-4-oxo-2-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid (PubChem CID 146381982) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[[4-amino-4-oxo-2-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[4-amino-4-oxo-2-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid
PubChem CID146381982
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-[[4-amino-4-oxo-2-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid
SMILESCC(NC(=O)C(CC(N)=O)NC(=O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H19N3O5/c1-9(15(22)23)17-14(21)11(8-12(16)19)18-13(20)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H2,16,19)(H,17,21)(H,18,20)(H,22,23)
InChIKeyDRKPXKXIZLYQMD-UHFFFAOYSA-N
XLogP-0.82
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-amino-2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]propanoic acid
CID 18489897
(3S)-4-[[(1R)-1-carboxyethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 70372183
2-[[4-amino-2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]propanoic acid
CID 18491474
2-[[4-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]propanoic acid
CID 19955212
(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285
(2R)-2-[(2-phenylacetyl)amino]propanamide
CID 15719286
(2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide
CID 118234330
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]pentanoic acid
CID 40551448
(2R)-4-amino-2-[[2-(3-methylphenyl)acetyl]amino]-4-oxobutanoic acid
CID 114004738
2-[[4-amino-2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]propanoic acid
CID 22652915
2-[[2-[[4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 18485806
2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 22659517

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-4-oxo-2-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid?
The IUPAC name of 2-[[4-amino-4-oxo-2-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid (CID 146381982) is 2-[[4-amino-4-oxo-2-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[4-amino-4-oxo-2-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid?
The canonical SMILES for 2-[[4-amino-4-oxo-2-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid is CC(NC(=O)C(CC(N)=O)NC(=O)Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[[4-amino-4-oxo-2-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid?
The InChIKey is DRKPXKXIZLYQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-9(15(22)23)17-14(21)11(8-12(16)19)18-13(20)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H2,16,19)(H,17,21)(H,18,20)(H,22,23).
What are the key properties of 2-[[4-amino-4-oxo-2-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid?
2-[[4-amino-4-oxo-2-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid has a molecular weight of 321.33 g/mol, XLogP of -0.82, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-4-oxo-2-[(2-phenylacetyl)amino]butanoyl]amino]propanoic acid is sourced from PubChem (CID 146381982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).