(2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid

C14H31NO4Si — CID 87972756

IUPAC(2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid
SMILESCC(C)[C@H](CN[C@@H](C)C(=O)O)OCOCC[Si](C)(C)C
InChIInChI=1S/C14H31NO4Si/c1-11(2)13(9-15-12(3)14(16)17)19-10-18-7-8-20(4,5)6/h11-13,15H,7-10H2,1-6H3,(H,16,17)/t12-,13-/m0/s1
InChIKeyCKZQSJGGRIRPOU-STQMWFEESA-N
MW305.49 g/mol
LogP2.40
Rot. Bonds11

About (2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid

(2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid (PubChem CID 87972756) has the molecular formula C14H31NO4Si and a molecular weight of 305.49 g/mol. Its IUPAC name is (2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid
PubChem CID87972756
Molecular FormulaC14H31NO4Si
Molecular Weight305.49 g/mol
Exact Mass305.20
IUPAC Name(2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid
SMILESCC(C)[C@H](CN[C@@H](C)C(=O)O)OCOCC[Si](C)(C)C
InChIInChI=1S/C14H31NO4Si/c1-11(2)13(9-15-12(3)14(16)17)19-10-18-7-8-20(4,5)6/h11-13,15H,7-10H2,1-6H3,(H,16,17)/t12-,13-/m0/s1
InChIKeyCKZQSJGGRIRPOU-STQMWFEESA-N
XLogP2.40
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 52.40
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-trimethylsilylethoxymethoxy)propanoic acid
CID 10775311
trimethyl-[2-(propan-2-yloxymethoxy)ethyl]silane
CID 140699202
ethyl 3-(2-trimethylsilylethoxymethoxy)butanoate
CID 71336008
methyl (2R,9S)-2-hydroxy-9-(2-trimethylsilylethoxymethoxy)decanoate
CID 102292945
2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid
CID 88592938
(2S)-2-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-2-(2-trimethylsilylethoxymethoxy)acetic acid
CID 124672506
2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid
CID 66171677
6-oxo-8-(2-trimethylsilylethoxymethoxy)octanoic acid
CID 175579111
(2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid
CID 156620019
methyl (2S,9R)-2-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)decanoate
CID 11732882
2-(methoxymethylamino)propanoic acid
CID 22892072
1-(2-trimethylsilylethoxy)propan-2-ol
CID 57045304

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid (CID 87972756) is (2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid is CC(C)[C@H](CN[C@@H](C)C(=O)O)OCOCC[Si](C)(C)C.
What is the InChIKey of (2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid?
The InChIKey is CKZQSJGGRIRPOU-STQMWFEESA-N. The full InChI is InChI=1S/C14H31NO4Si/c1-11(2)13(9-15-12(3)14(16)17)19-10-18-7-8-20(4,5)6/h11-13,15H,7-10H2,1-6H3,(H,16,17)/t12-,13-/m0/s1.
What are the key properties of (2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid?
(2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid has a molecular weight of 305.49 g/mol, XLogP of 2.40, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid is sourced from PubChem (CID 87972756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).