2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid

C17H24N2O4 — CID 119202071

IUPAC2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)CCCC(=O)N(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H24N2O4/c1-4-17(16(22)23,13-9-6-5-7-10-13)18-14(20)11-8-12-15(21)19(2)3/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,18,20)(H,22,23)
InChIKeyBFGYNBWRDQNRKX-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.75
Rot. Bonds8

About 2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid

2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid (PubChem CID 119202071) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid
PubChem CID119202071
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)CCCC(=O)N(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H24N2O4/c1-4-17(16(22)23,13-9-6-5-7-10-13)18-14(20)11-8-12-15(21)19(2)3/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,18,20)(H,22,23)
InChIKeyBFGYNBWRDQNRKX-UHFFFAOYSA-N
XLogP1.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid
CID 119201999
2-phenyl-2-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]butanoic acid
CID 120519046
2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-phenylbutanoic acid
CID 119201844
2-(4-chlorophenyl)-2-[4-(2,2-dimethylpropanoylamino)butanoylamino]butanoic acid
CID 120977675
2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid
CID 119202069
N-tritylpentanamide
CID 71163215
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid
CID 119201964
2-(hexanoylamino)-2-phenylpropanoic acid
CID 62487129
4-[[5-(dimethylamino)-5-oxopentanoyl]amino]benzoic acid
CID 119177773
2-(4-chlorophenyl)-2-[[4-oxo-4-(propylamino)butanoyl]amino]butanoic acid
CID 120977719
2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid
CID 119201955
N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide
CID 102237864

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid?
The IUPAC name of 2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid (CID 119202071) is 2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid.
What is the SMILES notation for 2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid?
The canonical SMILES for 2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid is CCC(NC(=O)CCCC(=O)N(C)C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid?
The InChIKey is BFGYNBWRDQNRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-4-17(16(22)23,13-9-6-5-7-10-13)18-14(20)11-8-12-15(21)19(2)3/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,18,20)(H,22,23).
What are the key properties of 2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid?
2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid has a molecular weight of 320.39 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid is sourced from PubChem (CID 119202071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).