5-[[ethyl-(2-methyl-3-trimethoxysilylpropyl)carbamoyl]amino]-2-methylpent-2-enoic acid

C16H32N2O6Si — CID 175043717

IUPAC5-[[ethyl-(2-methyl-3-trimethoxysilylpropyl)carbamoyl]amino]-2-methylpent-2-enoic acid
SMILESCCN(CC(C)C[Si](OC)(OC)OC)C(=O)NCCC=C(C)C(=O)O
InChIInChI=1S/C16H32N2O6Si/c1-7-18(11-13(2)12-25(22-4,23-5)24-6)16(21)17-10-8-9-14(3)15(19)20/h9,13H,7-8,10-12H2,1-6H3,(H,17,21)(H,19,20)
InChIKeyGNDLRSJCXRQFBH-UHFFFAOYSA-N
MW376.53 g/mol
LogP1.95
Rot. Bonds12

About 5-[[ethyl-(2-methyl-3-trimethoxysilylpropyl)carbamoyl]amino]-2-methylpent-2-enoic acid

5-[[ethyl-(2-methyl-3-trimethoxysilylpropyl)carbamoyl]amino]-2-methylpent-2-enoic acid (PubChem CID 175043717) has the molecular formula C16H32N2O6Si and a molecular weight of 376.53 g/mol. Its IUPAC name is 5-[[ethyl-(2-methyl-3-trimethoxysilylpropyl)carbamoyl]amino]-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name5-[[ethyl-(2-methyl-3-trimethoxysilylpropyl)carbamoyl]amino]-2-methylpent-2-enoic acid
PubChem CID175043717
Molecular FormulaC16H32N2O6Si
Molecular Weight376.53 g/mol
Exact Mass376.20
IUPAC Name5-[[ethyl-(2-methyl-3-trimethoxysilylpropyl)carbamoyl]amino]-2-methylpent-2-enoic acid
SMILESCCN(CC(C)C[Si](OC)(OC)OC)C(=O)NCCC=C(C)C(=O)O
InChIInChI=1S/C16H32N2O6Si/c1-7-18(11-13(2)12-25(22-4,23-5)24-6)16(21)17-10-8-9-14(3)15(19)20/h9,13H,7-8,10-12H2,1-6H3,(H,17,21)(H,19,20)
InChIKeyGNDLRSJCXRQFBH-UHFFFAOYSA-N
XLogP1.95
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-methyl-6-trimethoxysilylhex-2-enoic acid
CID 57455697
2-methyl-6-trimethoxysilylhex-2-enoic acid;sulfane
CID 173006687
1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea
CID 90444026
(E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid
CID 87648980
3-[ethyl(3-methylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 62852278
2-methyl-4-[methyl(2-methylbutyl)amino]but-2-enoic acid
CID 77074395
(E)-6-methoxy-2-methylhept-2-enoic acid
CID 22026595
4-[ethyl(propan-2-yl)amino]-2-methylbut-2-enoic acid
CID 77075954
4-[ethyl(2-ethylbutyl)amino]-2-methylbut-2-enoic acid
CID 77076086
2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184764
4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbut-2-enoic acid
CID 77076316
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838341

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl-(2-methyl-3-trimethoxysilylpropyl)carbamoyl]amino]-2-methylpent-2-enoic acid?
The IUPAC name of 5-[[ethyl-(2-methyl-3-trimethoxysilylpropyl)carbamoyl]amino]-2-methylpent-2-enoic acid (CID 175043717) is 5-[[ethyl-(2-methyl-3-trimethoxysilylpropyl)carbamoyl]amino]-2-methylpent-2-enoic acid.
What is the SMILES notation for 5-[[ethyl-(2-methyl-3-trimethoxysilylpropyl)carbamoyl]amino]-2-methylpent-2-enoic acid?
The canonical SMILES for 5-[[ethyl-(2-methyl-3-trimethoxysilylpropyl)carbamoyl]amino]-2-methylpent-2-enoic acid is CCN(CC(C)C[Si](OC)(OC)OC)C(=O)NCCC=C(C)C(=O)O.
What is the InChIKey of 5-[[ethyl-(2-methyl-3-trimethoxysilylpropyl)carbamoyl]amino]-2-methylpent-2-enoic acid?
The InChIKey is GNDLRSJCXRQFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O6Si/c1-7-18(11-13(2)12-25(22-4,23-5)24-6)16(21)17-10-8-9-14(3)15(19)20/h9,13H,7-8,10-12H2,1-6H3,(H,17,21)(H,19,20).
What are the key properties of 5-[[ethyl-(2-methyl-3-trimethoxysilylpropyl)carbamoyl]amino]-2-methylpent-2-enoic acid?
5-[[ethyl-(2-methyl-3-trimethoxysilylpropyl)carbamoyl]amino]-2-methylpent-2-enoic acid has a molecular weight of 376.53 g/mol, XLogP of 1.95, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl-(2-methyl-3-trimethoxysilylpropyl)carbamoyl]amino]-2-methylpent-2-enoic acid is sourced from PubChem (CID 175043717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).