2-[carboxymethyl(11-methoxysilylundecanoyl)amino]acetic acid

C16H31NO6Si — CID 123636694

IUPAC2-[carboxymethyl(11-methoxysilylundecanoyl)amino]acetic acid
SMILESCO[SiH2]CCCCCCCCCCC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C16H31NO6Si/c1-23-24-11-9-7-5-3-2-4-6-8-10-14(18)17(12-15(19)20)13-16(21)22/h2-13,24H2,1H3,(H,19,20)(H,21,22)
InChIKeyIEFZLDZQXICXLT-UHFFFAOYSA-N
MW361.51 g/mol
LogP1.64
Rot. Bonds16

About 2-[carboxymethyl(11-methoxysilylundecanoyl)amino]acetic acid

2-[carboxymethyl(11-methoxysilylundecanoyl)amino]acetic acid (PubChem CID 123636694) has the molecular formula C16H31NO6Si and a molecular weight of 361.51 g/mol. Its IUPAC name is 2-[carboxymethyl(11-methoxysilylundecanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(11-methoxysilylundecanoyl)amino]acetic acid
PubChem CID123636694
Molecular FormulaC16H31NO6Si
Molecular Weight361.51 g/mol
Exact Mass361.19
IUPAC Name2-[carboxymethyl(11-methoxysilylundecanoyl)amino]acetic acid
SMILESCO[SiH2]CCCCCCCCCCC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C16H31NO6Si/c1-23-24-11-9-7-5-3-2-4-6-8-10-14(18)17(12-15(19)20)13-16(21)22/h2-13,24H2,1H3,(H,19,20)(H,21,22)
InChIKeyIEFZLDZQXICXLT-UHFFFAOYSA-N
XLogP1.64
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane
CID 158393557
2-[carboxymethyl(octadecanoyl)amino]acetic acid
CID 13060866
azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid
CID 173442043
methyl 11-methoxysilylundecanoate
CID 123472128
2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642
2-[octadecanoyl(pentyl)amino]acetic acid
CID 175340865
2-[butyl(octadecanoyl)amino]acetic acid
CID 175340712
2-[propyl(tridecanoyl)amino]acetic acid
CID 139609682
2-[hexadecyl(nonanoyl)amino]acetic acid
CID 138918698
18-[carboxymethyl-[5-(2-ethoxyethoxy)-2-oxopentyl]amino]-18-oxooctadecanoic acid
CID 158066143
12-(diethylamino)-12-oxododecanoic acid
CID 19794003

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(11-methoxysilylundecanoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(11-methoxysilylundecanoyl)amino]acetic acid (CID 123636694) is 2-[carboxymethyl(11-methoxysilylundecanoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(11-methoxysilylundecanoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(11-methoxysilylundecanoyl)amino]acetic acid is CO[SiH2]CCCCCCCCCCC(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(11-methoxysilylundecanoyl)amino]acetic acid?
The InChIKey is IEFZLDZQXICXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO6Si/c1-23-24-11-9-7-5-3-2-4-6-8-10-14(18)17(12-15(19)20)13-16(21)22/h2-13,24H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[carboxymethyl(11-methoxysilylundecanoyl)amino]acetic acid?
2-[carboxymethyl(11-methoxysilylundecanoyl)amino]acetic acid has a molecular weight of 361.51 g/mol, XLogP of 1.64, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(11-methoxysilylundecanoyl)amino]acetic acid is sourced from PubChem (CID 123636694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).