5-amino-2-[[2-(diformylamino)-2-phenylpropanoyl]amino]-5-oxopentanoic acid

C16H19N3O6 — CID 174866126

IUPAC5-amino-2-[[2-(diformylamino)-2-phenylpropanoyl]amino]-5-oxopentanoic acid
SMILESCC(C(=O)NC(CCC(N)=O)C(=O)O)(c1ccccc1)N(C=O)C=O
InChIInChI=1S/C16H19N3O6/c1-16(19(9-20)10-21,11-5-3-2-4-6-11)15(25)18-12(14(23)24)7-8-13(17)22/h2-6,9-10,12H,7-8H2,1H3,(H2,17,22)(H,18,25)(H,23,24)
InChIKeyZMUOMBLXFKUINP-UHFFFAOYSA-N
MW349.34 g/mol
LogP-0.65
Rot. Bonds10

About 5-amino-2-[[2-(diformylamino)-2-phenylpropanoyl]amino]-5-oxopentanoic acid

5-amino-2-[[2-(diformylamino)-2-phenylpropanoyl]amino]-5-oxopentanoic acid (PubChem CID 174866126) has the molecular formula C16H19N3O6 and a molecular weight of 349.34 g/mol. Its IUPAC name is 5-amino-2-[[2-(diformylamino)-2-phenylpropanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[2-(diformylamino)-2-phenylpropanoyl]amino]-5-oxopentanoic acid
PubChem CID174866126
Molecular FormulaC16H19N3O6
Molecular Weight349.34 g/mol
Exact Mass349.13
IUPAC Name5-amino-2-[[2-(diformylamino)-2-phenylpropanoyl]amino]-5-oxopentanoic acid
SMILESCC(C(=O)NC(CCC(N)=O)C(=O)O)(c1ccccc1)N(C=O)C=O
InChIInChI=1S/C16H19N3O6/c1-16(19(9-20)10-21,11-5-3-2-4-6-11)15(25)18-12(14(23)24)7-8-13(17)22/h2-6,9-10,12H,7-8H2,1H3,(H2,17,22)(H,18,25)(H,23,24)
InChIKeyZMUOMBLXFKUINP-UHFFFAOYSA-N
XLogP-0.65
TPSA146.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid
CID 62487551
(2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid
CID 61267028
5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid
CID 115426530
(2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid
CID 79814047
(2R)-5-amino-2-[(2-methylsulfanylbenzoyl)amino]-5-oxopentanoic acid
CID 107830012
CID 68604008
CID 68604008
(2R)-5-amino-2-[(3-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid
CID 107830298
(2S)-5-amino-2-[(2-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 61159622
5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
CID 23278909
(2S)-5-amino-2-anilino-5-oxopentanoic acid
CID 54197392
6-diazo-2-[(2-hydroxy-2-phenylpropanoyl)amino]-5-oxohexanoic acid
CID 170436554
(2S)-5-amino-2-(benzylcarbamoylamino)-5-oxopentanoic acid
CID 61181145

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[2-(diformylamino)-2-phenylpropanoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[2-(diformylamino)-2-phenylpropanoyl]amino]-5-oxopentanoic acid (CID 174866126) is 5-amino-2-[[2-(diformylamino)-2-phenylpropanoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[2-(diformylamino)-2-phenylpropanoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[2-(diformylamino)-2-phenylpropanoyl]amino]-5-oxopentanoic acid is CC(C(=O)NC(CCC(N)=O)C(=O)O)(c1ccccc1)N(C=O)C=O.
What is the InChIKey of 5-amino-2-[[2-(diformylamino)-2-phenylpropanoyl]amino]-5-oxopentanoic acid?
The InChIKey is ZMUOMBLXFKUINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6/c1-16(19(9-20)10-21,11-5-3-2-4-6-11)15(25)18-12(14(23)24)7-8-13(17)22/h2-6,9-10,12H,7-8H2,1H3,(H2,17,22)(H,18,25)(H,23,24).
What are the key properties of 5-amino-2-[[2-(diformylamino)-2-phenylpropanoyl]amino]-5-oxopentanoic acid?
5-amino-2-[[2-(diformylamino)-2-phenylpropanoyl]amino]-5-oxopentanoic acid has a molecular weight of 349.34 g/mol, XLogP of -0.65, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[2-(diformylamino)-2-phenylpropanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 174866126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).