(2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane

C14H22N2O2Si — CID 159014454

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane
SMILESCC(C)(c1c[nH]c2ccccc12)[C@](C)(N)C(=O)O.[SiH4]
InChIInChI=1S/C14H18N2O2.H4Si/c1-13(2,14(3,15)12(17)18)10-8-16-11-7-5-4-6-9(10)11;/h4-8,16H,15H2,1-3H3,(H,17,18);1H4/t14-;/m1./s1
InChIKeyJSXIQOFNJRRYLG-PFEQFJNWSA-N
MW278.43 g/mol
LogP0.80
Rot. Bonds3

About (2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane

(2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane (PubChem CID 159014454) has the molecular formula C14H22N2O2Si and a molecular weight of 278.43 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane
PubChem CID159014454
Molecular FormulaC14H22N2O2Si
Molecular Weight278.43 g/mol
Exact Mass278.15
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane
SMILESCC(C)(c1c[nH]c2ccccc12)[C@](C)(N)C(=O)O.[SiH4]
InChIInChI=1S/C14H18N2O2.H4Si/c1-13(2,14(3,15)12(17)18)10-8-16-11-7-5-4-6-9(10)11;/h4-8,16H,15H2,1-3H3,(H,17,18);1H4/t14-;/m1./s1
InChIKeyJSXIQOFNJRRYLG-PFEQFJNWSA-N
XLogP0.80
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-2-methylpropanedioic acid
CID 70075508
2-(1H-indol-3-yl)propan-2-amine
CID 18668060
(2R)-2-(1H-indol-3-yl)-2-methoxypropanamide
CID 141348863
N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113208983
[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid
CID 115218163
2-(1H-indol-3-yl)-2-phenylpropan-1-amine
CID 102100966
3-amino-3-(1H-indol-3-yl)nonanoic acid;dihydrochloride
CID 174428553
3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 115153153
2-fluoro-2-(1H-indol-3-yl)propan-1-amine
CID 83853895
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
2-ethyl-2-(1H-indol-3-yl)-3-methylbutanamide
CID 175366507

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane (CID 159014454) is (2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane is CC(C)(c1c[nH]c2ccccc12)[C@](C)(N)C(=O)O.[SiH4].
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane?
The InChIKey is JSXIQOFNJRRYLG-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H18N2O2.H4Si/c1-13(2,14(3,15)12(17)18)10-8-16-11-7-5-4-6-9(10)11;/h4-8,16H,15H2,1-3H3,(H,17,18);1H4/t14-;/m1./s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane?
(2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane has a molecular weight of 278.43 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane is sourced from PubChem (CID 159014454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).