amino 4-[[propyl(trimethoxysilyl)carbamoyl]amino]butanoate

C11H25N3O6Si — CID 175446975

IUPACamino 4-[[propyl(trimethoxysilyl)carbamoyl]amino]butanoate
SMILESCCCN(C(=O)NCCCC(=O)ON)[Si](OC)(OC)OC
InChIInChI=1S/C11H25N3O6Si/c1-5-9-14(21(17-2,18-3)19-4)11(16)13-8-6-7-10(15)20-12/h5-9,12H2,1-4H3,(H,13,16)
InChIKeyZSBKPIZWJYCYIC-UHFFFAOYSA-N
MW323.42 g/mol
LogP-0.02
Rot. Bonds10

About amino 4-[[propyl(trimethoxysilyl)carbamoyl]amino]butanoate

amino 4-[[propyl(trimethoxysilyl)carbamoyl]amino]butanoate (PubChem CID 175446975) has the molecular formula C11H25N3O6Si and a molecular weight of 323.42 g/mol. Its IUPAC name is amino 4-[[propyl(trimethoxysilyl)carbamoyl]amino]butanoate.

Molecular Properties

Compound Nameamino 4-[[propyl(trimethoxysilyl)carbamoyl]amino]butanoate
PubChem CID175446975
Molecular FormulaC11H25N3O6Si
Molecular Weight323.42 g/mol
Exact Mass323.15
IUPAC Nameamino 4-[[propyl(trimethoxysilyl)carbamoyl]amino]butanoate
SMILESCCCN(C(=O)NCCCC(=O)ON)[Si](OC)(OC)OC
InChIInChI=1S/C11H25N3O6Si/c1-5-9-14(21(17-2,18-3)19-4)11(16)13-8-6-7-10(15)20-12/h5-9,12H2,1-4H3,(H,13,16)
InChIKeyZSBKPIZWJYCYIC-UHFFFAOYSA-N
XLogP-0.02
TPSA112.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-propyl-1-trimethoxysilylurea
CID 87287857
methyl 4-[butylcarbamoyl(methyl)amino]butanoate
CID 60970627
1,1-dipropyl-3-(3-triethoxysilylpropyl)urea
CID 59782779
4-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61195680
diamino tetradecanedioate
CID 174564109
ethyl 4-(butylcarbamoylamino)butanoate
CID 60677353
methyl 4-(2-bromobutanoylamino)butanoate
CID 62855279
methyl 4-(tridecanoylamino)butanoate
CID 101398455
ethyl 4-(pentanoylamino)butanoate
CID 60654722
N'-[2-[propyl(trimethoxysilyl)amino]ethyl]ethane-1,2-diamine
CID 53446485
ethyl 4-(ethoxycarbonylamino)butanoate
CID 14140662
ethyl 4-[[2-[(3-ethoxy-3-oxopropyl)-methylamino]acetyl]amino]butanoate
CID 62012622

Frequently Asked Questions

What is the IUPAC name of amino 4-[[propyl(trimethoxysilyl)carbamoyl]amino]butanoate?
The IUPAC name of amino 4-[[propyl(trimethoxysilyl)carbamoyl]amino]butanoate (CID 175446975) is amino 4-[[propyl(trimethoxysilyl)carbamoyl]amino]butanoate.
What is the SMILES notation for amino 4-[[propyl(trimethoxysilyl)carbamoyl]amino]butanoate?
The canonical SMILES for amino 4-[[propyl(trimethoxysilyl)carbamoyl]amino]butanoate is CCCN(C(=O)NCCCC(=O)ON)[Si](OC)(OC)OC.
What is the InChIKey of amino 4-[[propyl(trimethoxysilyl)carbamoyl]amino]butanoate?
The InChIKey is ZSBKPIZWJYCYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O6Si/c1-5-9-14(21(17-2,18-3)19-4)11(16)13-8-6-7-10(15)20-12/h5-9,12H2,1-4H3,(H,13,16).
What are the key properties of amino 4-[[propyl(trimethoxysilyl)carbamoyl]amino]butanoate?
amino 4-[[propyl(trimethoxysilyl)carbamoyl]amino]butanoate has a molecular weight of 323.42 g/mol, XLogP of -0.02, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for amino 4-[[propyl(trimethoxysilyl)carbamoyl]amino]butanoate is sourced from PubChem (CID 175446975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).