4-amino-4-oxo-3-[2-[[4-oxo-4-(2-trimethylsilylethoxy)butanoyl]amino]propanoylamino]butanoic acid

C16H29N3O7Si — CID 175361596

IUPAC4-amino-4-oxo-3-[2-[[4-oxo-4-(2-trimethylsilylethoxy)butanoyl]amino]propanoylamino]butanoic acid
SMILESCC(NC(=O)CCC(=O)OCC[Si](C)(C)C)C(=O)NC(CC(=O)O)C(N)=O
InChIInChI=1S/C16H29N3O7Si/c1-10(16(25)19-11(15(17)24)9-13(21)22)18-12(20)5-6-14(23)26-7-8-27(2,3)4/h10-11H,5-9H2,1-4H3,(H2,17,24)(H,18,20)(H,19,25)(H,21,22)
InChIKeyKIGFAJCGGKATBV-UHFFFAOYSA-N
MW403.51 g/mol
LogP-0.40
Rot. Bonds12

About 4-amino-4-oxo-3-[2-[[4-oxo-4-(2-trimethylsilylethoxy)butanoyl]amino]propanoylamino]butanoic acid

4-amino-4-oxo-3-[2-[[4-oxo-4-(2-trimethylsilylethoxy)butanoyl]amino]propanoylamino]butanoic acid (PubChem CID 175361596) has the molecular formula C16H29N3O7Si and a molecular weight of 403.51 g/mol. Its IUPAC name is 4-amino-4-oxo-3-[2-[[4-oxo-4-(2-trimethylsilylethoxy)butanoyl]amino]propanoylamino]butanoic acid.

Molecular Properties

Compound Name4-amino-4-oxo-3-[2-[[4-oxo-4-(2-trimethylsilylethoxy)butanoyl]amino]propanoylamino]butanoic acid
PubChem CID175361596
Molecular FormulaC16H29N3O7Si
Molecular Weight403.51 g/mol
Exact Mass403.18
IUPAC Name4-amino-4-oxo-3-[2-[[4-oxo-4-(2-trimethylsilylethoxy)butanoyl]amino]propanoylamino]butanoic acid
SMILESCC(NC(=O)CCC(=O)OCC[Si](C)(C)C)C(=O)NC(CC(=O)O)C(N)=O
InChIInChI=1S/C16H29N3O7Si/c1-10(16(25)19-11(15(17)24)9-13(21)22)18-12(20)5-6-14(23)26-7-8-27(2,3)4/h10-11H,5-9H2,1-4H3,(H2,17,24)(H,18,20)(H,19,25)(H,21,22)
InChIKeyKIGFAJCGGKATBV-UHFFFAOYSA-N
XLogP-0.40
TPSA164.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-4-oxo-3-[2-[[4-oxo-4-(2-trimethylsilylethoxy)butanoyl]amino]propanoylamino]butanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid
CID 86665259
(3S)-4-amino-3-[[(2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 88573174
(4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid
CID 18647841
ethyl 4-[(1-amino-1-oxopropan-2-yl)amino]-4-oxobutanoate
CID 60698765
(4R)-5-amino-4-[[(2S)-2-(hexanoylamino)propanoyl]amino]-5-oxopentanoic acid
CID 101061468
(4R)-5-amino-5-oxo-4-[[(2S)-2-(7-oxoundecanoylamino)propanoyl]amino]pentanoic acid
CID 10453547
4-oxo-4-[[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]butanoic acid
CID 95989133
2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate
CID 59061501
(3S)-3-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 102061471
4-amino-3-(hexadecanoylamino)-4-oxobutanoic acid
CID 91591572
2-[[4-amino-2-[2-[(2-aminoacetyl)amino]propanoylamino]-4-oxobutanoyl]amino]acetic acid
CID 18484799
(3S)-4-amino-3-[[(2S)-4-methyl-2-[(2-sulfanylacetyl)amino]pentanoyl]amino]-4-oxobutanoic acid
CID 46882770

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-oxo-3-[2-[[4-oxo-4-(2-trimethylsilylethoxy)butanoyl]amino]propanoylamino]butanoic acid?
The IUPAC name of 4-amino-4-oxo-3-[2-[[4-oxo-4-(2-trimethylsilylethoxy)butanoyl]amino]propanoylamino]butanoic acid (CID 175361596) is 4-amino-4-oxo-3-[2-[[4-oxo-4-(2-trimethylsilylethoxy)butanoyl]amino]propanoylamino]butanoic acid.
What is the SMILES notation for 4-amino-4-oxo-3-[2-[[4-oxo-4-(2-trimethylsilylethoxy)butanoyl]amino]propanoylamino]butanoic acid?
The canonical SMILES for 4-amino-4-oxo-3-[2-[[4-oxo-4-(2-trimethylsilylethoxy)butanoyl]amino]propanoylamino]butanoic acid is CC(NC(=O)CCC(=O)OCC[Si](C)(C)C)C(=O)NC(CC(=O)O)C(N)=O.
What is the InChIKey of 4-amino-4-oxo-3-[2-[[4-oxo-4-(2-trimethylsilylethoxy)butanoyl]amino]propanoylamino]butanoic acid?
The InChIKey is KIGFAJCGGKATBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O7Si/c1-10(16(25)19-11(15(17)24)9-13(21)22)18-12(20)5-6-14(23)26-7-8-27(2,3)4/h10-11H,5-9H2,1-4H3,(H2,17,24)(H,18,20)(H,19,25)(H,21,22).
What are the key properties of 4-amino-4-oxo-3-[2-[[4-oxo-4-(2-trimethylsilylethoxy)butanoyl]amino]propanoylamino]butanoic acid?
4-amino-4-oxo-3-[2-[[4-oxo-4-(2-trimethylsilylethoxy)butanoyl]amino]propanoylamino]butanoic acid has a molecular weight of 403.51 g/mol, XLogP of -0.40, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-oxo-3-[2-[[4-oxo-4-(2-trimethylsilylethoxy)butanoyl]amino]propanoylamino]butanoic acid is sourced from PubChem (CID 175361596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).