tert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate

C19H35NO3 — CID 67262765

IUPACtert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)CN[C@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H35NO3/c1-12(2)15-9-8-13(3)10-16(15)17(21)11-20-14(4)18(22)23-19(5,6)7/h12-16,20H,8-11H2,1-7H3/t13-,14-,15+,16-/m1/s1
InChIKeyDXGAAXCGGUETJB-LVQVYYBASA-N
MW325.49 g/mol
LogP3.58
Rot. Bonds6

About tert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate

tert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate (PubChem CID 67262765) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate
PubChem CID67262765
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Nametert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)CN[C@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H35NO3/c1-12(2)15-9-8-13(3)10-16(15)17(21)11-20-14(4)18(22)23-19(5,6)7/h12-16,20H,8-11H2,1-7H3/t13-,14-,15+,16-/m1/s1
InChIKeyDXGAAXCGGUETJB-LVQVYYBASA-N
XLogP3.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate 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 tert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate (CID 67262765) is tert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)CN[C@H](C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate?
The InChIKey is DXGAAXCGGUETJB-LVQVYYBASA-N. The full InChI is InChI=1S/C19H35NO3/c1-12(2)15-9-8-13(3)10-16(15)17(21)11-20-14(4)18(22)23-19(5,6)7/h12-16,20H,8-11H2,1-7H3/t13-,14-,15+,16-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate?
tert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate has a molecular weight of 325.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 67262765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).