[2-[[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2-oxoethyl]-methylcarbamic acid

C16H32N2O4Si — CID 174156173

IUPAC[2-[[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2-oxoethyl]-methylcarbamic acid
SMILESCN(CC(=O)N[C@@H]1CCCC[C@H]1O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C16H32N2O4Si/c1-16(2,3)23(5,6)22-13-10-8-7-9-12(13)17-14(19)11-18(4)15(20)21/h12-13H,7-11H2,1-6H3,(H,17,19)(H,20,21)/t12-,13-/m1/s1
InChIKeyFQHOFZFRLGFNAK-CHWSQXEVSA-N
MW344.53 g/mol
LogP3.05
Rot. Bonds5

About [2-[[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2-oxoethyl]-methylcarbamic acid

[2-[[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2-oxoethyl]-methylcarbamic acid (PubChem CID 174156173) has the molecular formula C16H32N2O4Si and a molecular weight of 344.53 g/mol. Its IUPAC name is [2-[[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2-oxoethyl]-methylcarbamic acid.

Molecular Properties

Compound Name[2-[[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2-oxoethyl]-methylcarbamic acid
PubChem CID174156173
Molecular FormulaC16H32N2O4Si
Molecular Weight344.53 g/mol
Exact Mass344.21
IUPAC Name[2-[[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2-oxoethyl]-methylcarbamic acid
SMILESCN(CC(=O)N[C@@H]1CCCC[C@H]1O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C16H32N2O4Si/c1-16(2,3)23(5,6)22-13-10-8-7-9-12(13)17-14(19)11-18(4)15(20)21/h12-13H,7-11H2,1-6H3,(H,17,19)(H,20,21)/t12-,13-/m1/s1
InChIKeyFQHOFZFRLGFNAK-CHWSQXEVSA-N
XLogP3.05
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2-oxoethyl]-methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2-oxoethyl]-methylcarbamic acid?
The IUPAC name of [2-[[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2-oxoethyl]-methylcarbamic acid (CID 174156173) is [2-[[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2-oxoethyl]-methylcarbamic acid.
What is the SMILES notation for [2-[[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2-oxoethyl]-methylcarbamic acid?
The canonical SMILES for [2-[[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2-oxoethyl]-methylcarbamic acid is CN(CC(=O)N[C@@H]1CCCC[C@H]1O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of [2-[[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2-oxoethyl]-methylcarbamic acid?
The InChIKey is FQHOFZFRLGFNAK-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H32N2O4Si/c1-16(2,3)23(5,6)22-13-10-8-7-9-12(13)17-14(19)11-18(4)15(20)21/h12-13H,7-11H2,1-6H3,(H,17,19)(H,20,21)/t12-,13-/m1/s1.
What are the key properties of [2-[[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2-oxoethyl]-methylcarbamic acid?
[2-[[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2-oxoethyl]-methylcarbamic acid has a molecular weight of 344.53 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-2-oxoethyl]-methylcarbamic acid is sourced from PubChem (CID 174156173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).