[(2R,3S)-2-amino-3-cyclopentyl-3-trimethylsilyloxypropyl]-methylcarbamic acid

C13H28N2O3Si — CID 68710051

IUPAC[(2R,3S)-2-amino-3-cyclopentyl-3-trimethylsilyloxypropyl]-methylcarbamic acid
SMILESCN(C[C@@H](N)[C@@H](O[Si](C)(C)C)C1CCCC1)C(=O)O
InChIInChI=1S/C13H28N2O3Si/c1-15(13(16)17)9-11(14)12(18-19(2,3)4)10-7-5-6-8-10/h10-12H,5-9,14H2,1-4H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyFUNWSBWFUCVSNP-NEPJUHHUSA-N
MW288.46 g/mol
LogP2.33
Rot. Bonds6

About [(2R,3S)-2-amino-3-cyclopentyl-3-trimethylsilyloxypropyl]-methylcarbamic acid

[(2R,3S)-2-amino-3-cyclopentyl-3-trimethylsilyloxypropyl]-methylcarbamic acid (PubChem CID 68710051) has the molecular formula C13H28N2O3Si and a molecular weight of 288.46 g/mol. Its IUPAC name is [(2R,3S)-2-amino-3-cyclopentyl-3-trimethylsilyloxypropyl]-methylcarbamic acid.

Molecular Properties

Compound Name[(2R,3S)-2-amino-3-cyclopentyl-3-trimethylsilyloxypropyl]-methylcarbamic acid
PubChem CID68710051
Molecular FormulaC13H28N2O3Si
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name[(2R,3S)-2-amino-3-cyclopentyl-3-trimethylsilyloxypropyl]-methylcarbamic acid
SMILESCN(C[C@@H](N)[C@@H](O[Si](C)(C)C)C1CCCC1)C(=O)O
InChIInChI=1S/C13H28N2O3Si/c1-15(13(16)17)9-11(14)12(18-19(2,3)4)10-7-5-6-8-10/h10-12H,5-9,14H2,1-4H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyFUNWSBWFUCVSNP-NEPJUHHUSA-N
XLogP2.33
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate
CID 59201362
2-cyclopentyl-2-(dimethylamino)acetamide
CID 116914808
(2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide
CID 68552101
[(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid
CID 68708714
4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid
CID 116908334
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
[(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid
CID 69264040
1-cyclopentyl-N',N'-dimethylmethanediamine
CID 116909168
4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid
CID 116908335
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide
CID 119596833
3-amino-4-cyclopentyl-5-methylhexanoic acid
CID 83909854
1-cyclohexylethyl (2S)-2-aminopropanoate
CID 165176376

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-amino-3-cyclopentyl-3-trimethylsilyloxypropyl]-methylcarbamic acid?
The IUPAC name of [(2R,3S)-2-amino-3-cyclopentyl-3-trimethylsilyloxypropyl]-methylcarbamic acid (CID 68710051) is [(2R,3S)-2-amino-3-cyclopentyl-3-trimethylsilyloxypropyl]-methylcarbamic acid.
What is the SMILES notation for [(2R,3S)-2-amino-3-cyclopentyl-3-trimethylsilyloxypropyl]-methylcarbamic acid?
The canonical SMILES for [(2R,3S)-2-amino-3-cyclopentyl-3-trimethylsilyloxypropyl]-methylcarbamic acid is CN(C[C@@H](N)[C@@H](O[Si](C)(C)C)C1CCCC1)C(=O)O.
What is the InChIKey of [(2R,3S)-2-amino-3-cyclopentyl-3-trimethylsilyloxypropyl]-methylcarbamic acid?
The InChIKey is FUNWSBWFUCVSNP-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H28N2O3Si/c1-15(13(16)17)9-11(14)12(18-19(2,3)4)10-7-5-6-8-10/h10-12H,5-9,14H2,1-4H3,(H,16,17)/t11-,12+/m1/s1.
What are the key properties of [(2R,3S)-2-amino-3-cyclopentyl-3-trimethylsilyloxypropyl]-methylcarbamic acid?
[(2R,3S)-2-amino-3-cyclopentyl-3-trimethylsilyloxypropyl]-methylcarbamic acid has a molecular weight of 288.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-amino-3-cyclopentyl-3-trimethylsilyloxypropyl]-methylcarbamic acid is sourced from PubChem (CID 68710051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).