3-carbamoyl-3-hydroxy-4-methylpentanoic acid;2-ethenyl-1,1,2-trimethoxysilinane

C17H33NO7Si — CID 174819830

IUPAC3-carbamoyl-3-hydroxy-4-methylpentanoic acid;2-ethenyl-1,1,2-trimethoxysilinane
SMILESC=CC1(OC)CCCC[Si]1(OC)OC.CC(C)C(O)(CC(=O)O)C(N)=O
InChIInChI=1S/C10H20O3Si.C7H13NO4/c1-5-10(11-2)8-6-7-9-14(10,12-3)13-4;1-4(2)7(12,6(8)11)3-5(9)10/h5H,1,6-9H2,2-4H3;4,12H,3H2,1-2H3,(H2,8,11)(H,9,10)
InChIKeySSPWPJHEWPVPSM-UHFFFAOYSA-N
MW391.54 g/mol
LogP1.35
Rot. Bonds8

About 3-carbamoyl-3-hydroxy-4-methylpentanoic acid;2-ethenyl-1,1,2-trimethoxysilinane

3-carbamoyl-3-hydroxy-4-methylpentanoic acid;2-ethenyl-1,1,2-trimethoxysilinane (PubChem CID 174819830) has the molecular formula C17H33NO7Si and a molecular weight of 391.54 g/mol. Its IUPAC name is 3-carbamoyl-3-hydroxy-4-methylpentanoic acid;2-ethenyl-1,1,2-trimethoxysilinane.

Molecular Properties

Compound Name3-carbamoyl-3-hydroxy-4-methylpentanoic acid;2-ethenyl-1,1,2-trimethoxysilinane
PubChem CID174819830
Molecular FormulaC17H33NO7Si
Molecular Weight391.54 g/mol
Exact Mass391.20
IUPAC Name3-carbamoyl-3-hydroxy-4-methylpentanoic acid;2-ethenyl-1,1,2-trimethoxysilinane
SMILESC=CC1(OC)CCCC[Si]1(OC)OC.CC(C)C(O)(CC(=O)O)C(N)=O
InChIInChI=1S/C10H20O3Si.C7H13NO4/c1-5-10(11-2)8-6-7-9-14(10,12-3)13-4;1-4(2)7(12,6(8)11)3-5(9)10/h5H,1,6-9H2,2-4H3;4,12H,3H2,1-2H3,(H2,8,11)(H,9,10)
InChIKeySSPWPJHEWPVPSM-UHFFFAOYSA-N
XLogP1.35
TPSA128.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane
CID 175374557
but-2-enamide;1,1,2-trimethoxy-2-propylsilinane
CID 174413955
2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine
CID 174519087
tetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate
CID 175262529
3,3-bis(ethenyl)-1,1,2,2-tetramethoxysilinane
CID 174838425
ethenyl(trimethoxy)silane;1,1,2,2-tetramethoxysilinane
CID 174508197
2-(1-ethenylcyclopentyl)acetic acid
CID 19822506
2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one
CID 174413287
1-(1,1,2-trimethoxy-3-methyl-2-propylsilinan-3-yl)prop-2-en-1-one
CID 174647401
3-(1,1,2-trimethoxysilinan-2-yl)propan-1-ol
CID 174434507
dimethyl 2-hydroxy-2-propan-2-ylbutanedioate
CID 3016407
dimethyl (2S)-2-hydroxy-2-propan-2-ylbutanedioate
CID 71430128

Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-3-hydroxy-4-methylpentanoic acid;2-ethenyl-1,1,2-trimethoxysilinane?
The IUPAC name of 3-carbamoyl-3-hydroxy-4-methylpentanoic acid;2-ethenyl-1,1,2-trimethoxysilinane (CID 174819830) is 3-carbamoyl-3-hydroxy-4-methylpentanoic acid;2-ethenyl-1,1,2-trimethoxysilinane.
What is the SMILES notation for 3-carbamoyl-3-hydroxy-4-methylpentanoic acid;2-ethenyl-1,1,2-trimethoxysilinane?
The canonical SMILES for 3-carbamoyl-3-hydroxy-4-methylpentanoic acid;2-ethenyl-1,1,2-trimethoxysilinane is C=CC1(OC)CCCC[Si]1(OC)OC.CC(C)C(O)(CC(=O)O)C(N)=O.
What is the InChIKey of 3-carbamoyl-3-hydroxy-4-methylpentanoic acid;2-ethenyl-1,1,2-trimethoxysilinane?
The InChIKey is SSPWPJHEWPVPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si.C7H13NO4/c1-5-10(11-2)8-6-7-9-14(10,12-3)13-4;1-4(2)7(12,6(8)11)3-5(9)10/h5H,1,6-9H2,2-4H3;4,12H,3H2,1-2H3,(H2,8,11)(H,9,10).
What are the key properties of 3-carbamoyl-3-hydroxy-4-methylpentanoic acid;2-ethenyl-1,1,2-trimethoxysilinane?
3-carbamoyl-3-hydroxy-4-methylpentanoic acid;2-ethenyl-1,1,2-trimethoxysilinane has a molecular weight of 391.54 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-3-hydroxy-4-methylpentanoic acid;2-ethenyl-1,1,2-trimethoxysilinane is sourced from PubChem (CID 174819830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).