(2-amino-3-hydroxy-3-trimethylsilylpropyl)-methylcarbamic acid

C8H20N2O3Si — CID 174529997

IUPAC(2-amino-3-hydroxy-3-trimethylsilylpropyl)-methylcarbamic acid
SMILESCN(CC(N)C(O)[Si](C)(C)C)C(=O)O
InChIInChI=1S/C8H20N2O3Si/c1-10(8(12)13)5-6(9)7(11)14(2,3)4/h6-7,11H,5,9H2,1-4H3,(H,12,13)
InChIKeyYUHNPLPRDVGHJL-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.16
Rot. Bonds4

About (2-amino-3-hydroxy-3-trimethylsilylpropyl)-methylcarbamic acid

(2-amino-3-hydroxy-3-trimethylsilylpropyl)-methylcarbamic acid (PubChem CID 174529997) has the molecular formula C8H20N2O3Si and a molecular weight of 220.34 g/mol. Its IUPAC name is (2-amino-3-hydroxy-3-trimethylsilylpropyl)-methylcarbamic acid.

Molecular Properties

Compound Name(2-amino-3-hydroxy-3-trimethylsilylpropyl)-methylcarbamic acid
PubChem CID174529997
Molecular FormulaC8H20N2O3Si
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name(2-amino-3-hydroxy-3-trimethylsilylpropyl)-methylcarbamic acid
SMILESCN(CC(N)C(O)[Si](C)(C)C)C(=O)O
InChIInChI=1S/C8H20N2O3Si/c1-10(8(12)13)5-6(9)7(11)14(2,3)4/h6-7,11H,5,9H2,1-4H3,(H,12,13)
InChIKeyYUHNPLPRDVGHJL-UHFFFAOYSA-N
XLogP0.16
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid
CID 150832768
[(2R,3S)-2-amino-3-cyclopentyl-3-trimethylsilyloxypropyl]-methylcarbamic acid
CID 68710051
[3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid
CID 90042224
[(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid
CID 68708714
[2-amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid
CID 67191458
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide
CID 61154665
2-amino-N,3-dimethyl-N-(2-methylpropyl)butanamide
CID 43272154
[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid
CID 68714572
2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 76891956
tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate
CID 87303261
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-hydroxy-3-trimethylsilylpropyl)-methylcarbamic acid?
The IUPAC name of (2-amino-3-hydroxy-3-trimethylsilylpropyl)-methylcarbamic acid (CID 174529997) is (2-amino-3-hydroxy-3-trimethylsilylpropyl)-methylcarbamic acid.
What is the SMILES notation for (2-amino-3-hydroxy-3-trimethylsilylpropyl)-methylcarbamic acid?
The canonical SMILES for (2-amino-3-hydroxy-3-trimethylsilylpropyl)-methylcarbamic acid is CN(CC(N)C(O)[Si](C)(C)C)C(=O)O.
What is the InChIKey of (2-amino-3-hydroxy-3-trimethylsilylpropyl)-methylcarbamic acid?
The InChIKey is YUHNPLPRDVGHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3Si/c1-10(8(12)13)5-6(9)7(11)14(2,3)4/h6-7,11H,5,9H2,1-4H3,(H,12,13).
What are the key properties of (2-amino-3-hydroxy-3-trimethylsilylpropyl)-methylcarbamic acid?
(2-amino-3-hydroxy-3-trimethylsilylpropyl)-methylcarbamic acid has a molecular weight of 220.34 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-hydroxy-3-trimethylsilylpropyl)-methylcarbamic acid is sourced from PubChem (CID 174529997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).