[(2S,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-(2-trimethylsilylethyl)carbamic acid

C21H42N2O5Si — CID 66861908

IUPAC[(2S,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-(2-trimethylsilylethyl)carbamic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CN(CC[Si](C)(C)C)C(=O)O
InChIInChI=1S/C21H42N2O5Si/c1-21(2,3)28-19(25)22-17(14-16-10-8-7-9-11-16)18(24)15-23(20(26)27)12-13-29(4,5)6/h16-18,24H,7-15H2,1-6H3,(H,22,25)(H,26,27)/t17-,18-/m0/s1
InChIKeyDADVCCKOVLQYJY-ROUUACIJSA-N
MW430.66 g/mol
LogP4.53
Rot. Bonds9

About [(2S,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-(2-trimethylsilylethyl)carbamic acid

[(2S,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-(2-trimethylsilylethyl)carbamic acid (PubChem CID 66861908) has the molecular formula C21H42N2O5Si and a molecular weight of 430.66 g/mol. Its IUPAC name is [(2S,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-(2-trimethylsilylethyl)carbamic acid.

Molecular Properties

Compound Name[(2S,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-(2-trimethylsilylethyl)carbamic acid
PubChem CID66861908
Molecular FormulaC21H42N2O5Si
Molecular Weight430.66 g/mol
Exact Mass430.29
IUPAC Name[(2S,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-(2-trimethylsilylethyl)carbamic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CN(CC[Si](C)(C)C)C(=O)O
InChIInChI=1S/C21H42N2O5Si/c1-21(2,3)28-19(25)22-17(14-16-10-8-7-9-11-16)18(24)15-23(20(26)27)12-13-29(4,5)6/h16-18,24H,7-15H2,1-6H3,(H,22,25)(H,26,27)/t17-,18-/m0/s1
InChIKeyDADVCCKOVLQYJY-ROUUACIJSA-N
XLogP4.53
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.66
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-(2-trimethylsilylethyl)carbamic 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 [(2S,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-(2-trimethylsilylethyl)carbamic acid?
The IUPAC name of [(2S,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-(2-trimethylsilylethyl)carbamic acid (CID 66861908) is [(2S,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-(2-trimethylsilylethyl)carbamic acid.
What is the SMILES notation for [(2S,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-(2-trimethylsilylethyl)carbamic acid?
The canonical SMILES for [(2S,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-(2-trimethylsilylethyl)carbamic acid is CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CN(CC[Si](C)(C)C)C(=O)O.
What is the InChIKey of [(2S,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-(2-trimethylsilylethyl)carbamic acid?
The InChIKey is DADVCCKOVLQYJY-ROUUACIJSA-N. The full InChI is InChI=1S/C21H42N2O5Si/c1-21(2,3)28-19(25)22-17(14-16-10-8-7-9-11-16)18(24)15-23(20(26)27)12-13-29(4,5)6/h16-18,24H,7-15H2,1-6H3,(H,22,25)(H,26,27)/t17-,18-/m0/s1.
What are the key properties of [(2S,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-(2-trimethylsilylethyl)carbamic acid?
[(2S,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-(2-trimethylsilylethyl)carbamic acid has a molecular weight of 430.66 g/mol, XLogP of 4.53, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-(2-trimethylsilylethyl)carbamic acid is sourced from PubChem (CID 66861908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).